3-butyl-1,2,4-triazole-1-carboxamide

C7H12N4O — CID 150268150

IUPAC3-butyl-1,2,4-triazole-1-carboxamide
SMILESCCCCc1ncn(C(N)=O)n1
InChIInChI=1S/C7H12N4O/c1-2-3-4-6-9-5-11(10-6)7(8)12/h5H,2-4H2,1H3,(H2,8,12)
InChIKeyGCZFSGUHRORQTO-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.55
Rot. Bonds3

About 3-butyl-1,2,4-triazole-1-carboxamide

3-butyl-1,2,4-triazole-1-carboxamide (PubChem CID 150268150) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-butyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name3-butyl-1,2,4-triazole-1-carboxamide
PubChem CID150268150
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-butyl-1,2,4-triazole-1-carboxamide
SMILESCCCCc1ncn(C(N)=O)n1
InChIInChI=1S/C7H12N4O/c1-2-3-4-6-9-5-11(10-6)7(8)12/h5H,2-4H2,1H3,(H2,8,12)
InChIKeyGCZFSGUHRORQTO-UHFFFAOYSA-N
XLogP0.55
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of 3-butyl-1,2,4-triazole-1-carboxamide (CID 150268150) is 3-butyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 3-butyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 3-butyl-1,2,4-triazole-1-carboxamide is CCCCc1ncn(C(N)=O)n1.
What is the InChIKey of 3-butyl-1,2,4-triazole-1-carboxamide?
The InChIKey is GCZFSGUHRORQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-2-3-4-6-9-5-11(10-6)7(8)12/h5H,2-4H2,1H3,(H2,8,12).
What are the key properties of 3-butyl-1,2,4-triazole-1-carboxamide?
3-butyl-1,2,4-triazole-1-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 150268150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).