2-methyl-2-(3-methyltriazol-4-yl)propanenitrile

C7H10N4 — CID 130544436

IUPAC2-methyl-2-(3-methyltriazol-4-yl)propanenitrile
SMILESCn1nncc1C(C)(C)C#N
InChIInChI=1S/C7H10N4/c1-7(2,5-8)6-4-9-10-11(6)3/h4H,1-3H3
InChIKeyWAKUJBQBTVQFBF-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.62
Rot. Bonds1

About 2-methyl-2-(3-methyltriazol-4-yl)propanenitrile

2-methyl-2-(3-methyltriazol-4-yl)propanenitrile (PubChem CID 130544436) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methyl-2-(3-methyltriazol-4-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(3-methyltriazol-4-yl)propanenitrile
PubChem CID130544436
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name2-methyl-2-(3-methyltriazol-4-yl)propanenitrile
SMILESCn1nncc1C(C)(C)C#N
InChIInChI=1S/C7H10N4/c1-7(2,5-8)6-4-9-10-11(6)3/h4H,1-3H3
InChIKeyWAKUJBQBTVQFBF-UHFFFAOYSA-N
XLogP0.62
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(3-methyltriazol-4-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114691275
N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
CID 114690474
4,4-dimethoxy-2-(3-methyltriazol-4-yl)butan-2-ol
CID 114685140
2-(5-bromo-3-methyltriazol-4-yl)-2-methylpropanenitrile
CID 84792518
N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine
CID 114691509
1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol
CID 114691278
methyl 5-(2-cyanopropan-2-yl)-1-methylpyrazole-3-carboxylate
CID 121216192
2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile
CID 69038672
1-(3-bromophenyl)-1-(3-methyltriazol-4-yl)ethanol
CID 114684581
5-tert-butyl-1-hydroxytriazole
CID 58507521
2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile
CID 54284261
1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol
CID 114833392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methyltriazol-4-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(3-methyltriazol-4-yl)propanenitrile (CID 130544436) is 2-methyl-2-(3-methyltriazol-4-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(3-methyltriazol-4-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(3-methyltriazol-4-yl)propanenitrile is Cn1nncc1C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(3-methyltriazol-4-yl)propanenitrile?
The InChIKey is WAKUJBQBTVQFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-7(2,5-8)6-4-9-10-11(6)3/h4H,1-3H3.
What are the key properties of 2-methyl-2-(3-methyltriazol-4-yl)propanenitrile?
2-methyl-2-(3-methyltriazol-4-yl)propanenitrile has a molecular weight of 150.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methyltriazol-4-yl)propanenitrile is sourced from PubChem (CID 130544436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).