1,3-dimethyl-5-propan-2-yl-1,2,4-triazole

C7H13N3 — CID 18338551

IUPAC1,3-dimethyl-5-propan-2-yl-1,2,4-triazole
SMILESCc1nc(C(C)C)n(C)n1
InChIInChI=1S/C7H13N3/c1-5(2)7-8-6(3)9-10(7)4/h5H,1-4H3
InChIKeyNHVIAIFIUAEPJI-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.25
Rot. Bonds1

About 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole

1,3-dimethyl-5-propan-2-yl-1,2,4-triazole (PubChem CID 18338551) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-yl-1,2,4-triazole
PubChem CID18338551
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1,3-dimethyl-5-propan-2-yl-1,2,4-triazole
SMILESCc1nc(C(C)C)n(C)n1
InChIInChI=1S/C7H13N3/c1-5(2)7-8-6(3)9-10(7)4/h5H,1-4H3
InChIKeyNHVIAIFIUAEPJI-UHFFFAOYSA-N
XLogP1.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-5-propan-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 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole (CID 18338551) is 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole is Cc1nc(C(C)C)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole?
The InChIKey is NHVIAIFIUAEPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)7-8-6(3)9-10(7)4/h5H,1-4H3.
What are the key properties of 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole?
1,3-dimethyl-5-propan-2-yl-1,2,4-triazole has a molecular weight of 139.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 18338551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).