CAS RN: 106861-17-0
4-methylpyridazine-3-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251029 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS106861-17-0
- Purity/Analytical Methods: >99.0%
106861-17-0 / 4-methylpyridazine-3-carbonitrile
4-methylpyridazine-3-carbonitrile | DTXSID80545722 | RefChem:294676
Basic Information
CAS
106861-17-0
Multi CAS
No
Molecular Formula
C6H5N3
Molecular Weight
119.120000
Exact Mass
119.048347
SMILES
CC1=C(N=NC=C1)C#N
InChI
InChI=1S/C6H5N3/c1-5-2-3-8-9-6(5)4-7/h2-3H,1H3
InChIKey
XVOXNSDLOXACCF-UHFFFAOYSA-N
Synonyms
4-methylpyridazine-3-carbonitrile
DTXSID80545722
RefChem:294676
DTXCID60496506
MFCD18909487
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
Molar refractivity
31.48
TPSA
49.57
LogP / Solubility
WLOGP
0.66
MLOGP
0.57
XLogP3
0.3
Consensus LogP
0.51
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very 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)
-2.98
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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