1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole

C14H23N3 — CID 129141271

IUPAC1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole
SMILESC=C(CCC/C=C\C)C(C)(C)c1ncn(C)n1
InChIInChI=1S/C14H23N3/c1-6-7-8-9-10-12(2)14(3,4)13-15-11-17(5)16-13/h6-7,11H,2,8-10H2,1,3-5H3/b7-6-
InChIKeyQCPHAJQFJWGAIU-SREVYHEPSA-N
MW233.36 g/mol
LogP3.40
Rot. Bonds6

About 1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole

1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole (PubChem CID 129141271) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole
PubChem CID129141271
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole
SMILESC=C(CCC/C=C\C)C(C)(C)c1ncn(C)n1
InChIInChI=1S/C14H23N3/c1-6-7-8-9-10-12(2)14(3,4)13-15-11-17(5)16-13/h6-7,11H,2,8-10H2,1,3-5H3/b7-6-
InChIKeyQCPHAJQFJWGAIU-SREVYHEPSA-N
XLogP3.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole?
The IUPAC name of 1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole (CID 129141271) is 1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole?
The canonical SMILES for 1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole is C=C(CCC/C=C\C)C(C)(C)c1ncn(C)n1.
What is the InChIKey of 1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole?
The InChIKey is QCPHAJQFJWGAIU-SREVYHEPSA-N. The full InChI is InChI=1S/C14H23N3/c1-6-7-8-9-10-12(2)14(3,4)13-15-11-17(5)16-13/h6-7,11H,2,8-10H2,1,3-5H3/b7-6-.
What are the key properties of 1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole?
1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole has a molecular weight of 233.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole is sourced from PubChem (CID 129141271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).