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CAS 107238-27-7 3-Pyridinecarbonitrile,5,6-diamino-(9CI) molecular structure lightbox
CAS RN: 107238-27-7

3-Pyridinecarbonitrile,5,6-diamino-(9CI)

  • Product code: SSC-008711
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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: 1g
  • 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 107238-27-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

107238-27-7 / 5,6-diaminopyridine-3-carbonitrile

5,6-DIAMINONICOTINONITRILE | 5,6-DIAMINOPYRIDINE-3-CARBONITRILE | MFCD10697696

Standard CAS: 107238-27-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107238-27-7
Multi CAS
No
Molecular Formula
C6H6N4
Molecular Weight
134.140000
Exact Mass
134.059246
SMILES
C1=C(C=NC(=C1N)N)C#N
InChI
InChI=1S/C6H6N4/c7-2-4-1-5(8)6(9)10-3-4/h1,3H,8H2,(H2,9,10)
InChIKey
AZSZQUXILYAWCD-UHFFFAOYSA-N
Synonyms
5,6-DIAMINONICOTINONITRILE 5,6-DIAMINOPYRIDINE-3-CARBONITRILE MFCD10697696 3-Pyridinecarbonitrile,5,6-diamino-(9CI) 5-Cyano-2,3-diaminopyridine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
37.78
TPSA
88.72

LogP / Solubility

WLOGP
0.12
MLOGP
0.1
XLogP3
-0.5
Consensus LogP
-0.09
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

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

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