(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine

C9H14N4 — CID 143479694

IUPAC(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine
SMILESC=Cc1nnc(C)n1/N=C(/C)CC
InChIInChI=1S/C9H14N4/c1-5-7(3)12-13-8(4)10-11-9(13)6-2/h6H,2,5H2,1,3-4H3/b12-7-
InChIKeyDVLXSZXYAHHTJC-GHXNOFRVSA-N
MW178.24 g/mol
LogP1.86
Rot. Bonds3

About (Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine

(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine (PubChem CID 143479694) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is (Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine.

Molecular Properties

Compound Name(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine
PubChem CID143479694
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine
SMILESC=Cc1nnc(C)n1/N=C(/C)CC
InChIInChI=1S/C9H14N4/c1-5-7(3)12-13-8(4)10-11-9(13)6-2/h6H,2,5H2,1,3-4H3/b12-7-
InChIKeyDVLXSZXYAHHTJC-GHXNOFRVSA-N
XLogP1.86
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine 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

3-Ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)
CID 58904784
3-Ethenyl-4,5-dimethyl-1,2,4-triazole
CID 91174647
5-Ethenyl-3-methyl-1,2,4-triazol-1-amine
CID 123415128
3-Ethenyl-1,5-dimethyl-1,2,4-triazole
CID 129222124
5-Ethenyl-1,3-dimethyl-1,2,4-triazole
CID 143191750
ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine
CID 143479693
N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
CID 146262226
N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine
CID 163874071
ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine
CID 165134602
ethane;(Z)-N-(5-ethenyl-3-methyl-1,2,4-triazol-1-yl)butan-2-imine
CID 168262274
3-Ethenyl-5-ethyl-1-methyl-1,2,4-triazole
CID 169012378
5-Ethenyl-1-iodo-3-pentyl-1,2,4-triazole
CID 169098136

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine?
The IUPAC name of (Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine (CID 143479694) is (Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine.
What is the SMILES notation for (Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine?
The canonical SMILES for (Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine is C=Cc1nnc(C)n1/N=C(/C)CC.
What is the InChIKey of (Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine?
The InChIKey is DVLXSZXYAHHTJC-GHXNOFRVSA-N. The full InChI is InChI=1S/C9H14N4/c1-5-7(3)12-13-8(4)10-11-9(13)6-2/h6H,2,5H2,1,3-4H3/b12-7-.
What are the key properties of (Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine?
(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine has a molecular weight of 178.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine is sourced from PubChem (CID 143479694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).