5-oxo-4-propyl-1,2,4-triazole-1-carboxamide

C6H10N4O2 — CID 141036700

IUPAC5-oxo-4-propyl-1,2,4-triazole-1-carboxamide
SMILESCCCn1cnn(C(N)=O)c1=O
InChIInChI=1S/C6H10N4O2/c1-2-3-9-4-8-10(5(7)11)6(9)12/h4H,2-3H2,1H3,(H2,7,11)
InChIKeyTXUVNJYWSJMKQQ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.62
Rot. Bonds2

About 5-oxo-4-propyl-1,2,4-triazole-1-carboxamide

5-oxo-4-propyl-1,2,4-triazole-1-carboxamide (PubChem CID 141036700) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-oxo-4-propyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name5-oxo-4-propyl-1,2,4-triazole-1-carboxamide
PubChem CID141036700
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name5-oxo-4-propyl-1,2,4-triazole-1-carboxamide
SMILESCCCn1cnn(C(N)=O)c1=O
InChIInChI=1S/C6H10N4O2/c1-2-3-9-4-8-10(5(7)11)6(9)12/h4H,2-3H2,1H3,(H2,7,11)
InChIKeyTXUVNJYWSJMKQQ-UHFFFAOYSA-N
XLogP-0.62
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide
CID 22278482
3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 147978263
5-Amino-2-methyl-4-propyl-1,2,4-triazol-3-one
CID 82841338
5-Amino-4-butyl-2-methyl-1,2,4-triazol-3-one
CID 82841425
2-Methyl-5-(methylamino)-4-propyl-1,2,4-triazol-3-one
CID 82841428
5-Amino-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 82841701
5-Amino-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 82841786
4-Cyclopropyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide
CID 141906884

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-propyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of 5-oxo-4-propyl-1,2,4-triazole-1-carboxamide (CID 141036700) is 5-oxo-4-propyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 5-oxo-4-propyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 5-oxo-4-propyl-1,2,4-triazole-1-carboxamide is CCCn1cnn(C(N)=O)c1=O.
What is the InChIKey of 5-oxo-4-propyl-1,2,4-triazole-1-carboxamide?
The InChIKey is TXUVNJYWSJMKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-2-3-9-4-8-10(5(7)11)6(9)12/h4H,2-3H2,1H3,(H2,7,11).
What are the key properties of 5-oxo-4-propyl-1,2,4-triazole-1-carboxamide?
5-oxo-4-propyl-1,2,4-triazole-1-carboxamide has a molecular weight of 170.17 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-propyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 141036700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).