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CAS 1171036-44-4 5-Methylpyrazine-2-carboxiMidaMide hydrochloride molecular structure lightbox
CAS RN: 1171036-44-4

5-Methylpyrazine-2-carboxiMidaMide hydrochloride

  • Product code: SSC-016941
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1171036-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1171036-44-4 / 5-methylpyrazine-2-carboximidamide;hydrochloride

5-Methylpyrazine-2-carboximidamide hydrochloride | MFCD11052508 | 5-methylpyrazine-2-carboximidamide;hydrochloride

Standard CAS: 1171036-44-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1171036-44-4
Multi CAS
No
Molecular Formula
C6H9ClN4
Molecular Weight
172.610000
Exact Mass
172.051574
SMILES
CC1=CN=C(C=N1)C(=N)N.Cl
InChI
InChI=1S/C6H8N4.ClH/c1-4-2-10-5(3-9-4)6(7)8;/h2-3H,1H3,(H3,7,8);1H
InChIKey
UGYLUKFIEQZBAB-UHFFFAOYSA-N
Synonyms
5-Methylpyrazine-2-carboximidamide hydrochloride MFCD11052508 5-methylpyrazine-2-carboximidamide;hydrochloride 2-Pyrazinecarboximidamide, 5-methyl-, hydrochloride (1:1) 5-METHYL-PYRAZINE-2-CARBOXAMIDINE HYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.03
TPSA
75.65

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.49
Consensus LogP
0.47
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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