1,5-dimethyltriazole-4-carboxamide

C5H8N4O — CID 82207950

IUPAC1,5-dimethyltriazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1C
InChIInChI=1S/C5H8N4O/c1-3-4(5(6)10)7-8-9(3)2/h1-2H3,(H2,6,10)
InChIKeyPJXSDUAVGOUPTJ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.78
Rot. Bonds1

About 1,5-dimethyltriazole-4-carboxamide

1,5-dimethyltriazole-4-carboxamide (PubChem CID 82207950) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 1,5-dimethyltriazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyltriazole-4-carboxamide
PubChem CID82207950
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name1,5-dimethyltriazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1C
InChIInChI=1S/C5H8N4O/c1-3-4(5(6)10)7-8-9(3)2/h1-2H3,(H2,6,10)
InChIKeyPJXSDUAVGOUPTJ-UHFFFAOYSA-N
XLogP-0.78
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,5-dimethyltriazole-4-carboxamide 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 1,5-dimethyltriazole-4-carboxamide?
The IUPAC name of 1,5-dimethyltriazole-4-carboxamide (CID 82207950) is 1,5-dimethyltriazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyltriazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyltriazole-4-carboxamide is Cc1c(C(N)=O)nnn1C.
What is the InChIKey of 1,5-dimethyltriazole-4-carboxamide?
The InChIKey is PJXSDUAVGOUPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-3-4(5(6)10)7-8-9(3)2/h1-2H3,(H2,6,10).
What are the key properties of 1,5-dimethyltriazole-4-carboxamide?
1,5-dimethyltriazole-4-carboxamide has a molecular weight of 140.15 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyltriazole-4-carboxamide is sourced from PubChem (CID 82207950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).