5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide

C6H10N4O2 — CID 137155159

IUPAC5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide
SMILESCC(C)NC(=O)n1nc[nH]c1=O
InChIInChI=1S/C6H10N4O2/c1-4(2)9-6(12)10-5(11)7-3-8-10/h3-4H,1-2H3,(H,9,12)(H,7,8,11)
InChIKeyQCAHDLSVROATCD-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.46
Rot. Bonds1

About 5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide

5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide (PubChem CID 137155159) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide
PubChem CID137155159
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide
SMILESCC(C)NC(=O)n1nc[nH]c1=O
InChIInChI=1S/C6H10N4O2/c1-4(2)9-6(12)10-5(11)7-3-8-10/h3-4H,1-2H3,(H,9,12)(H,7,8,11)
InChIKeyQCAHDLSVROATCD-UHFFFAOYSA-N
XLogP-0.46
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide?
The IUPAC name of 5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide (CID 137155159) is 5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide is CC(C)NC(=O)n1nc[nH]c1=O.
What is the InChIKey of 5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide?
The InChIKey is QCAHDLSVROATCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(2)9-6(12)10-5(11)7-3-8-10/h3-4H,1-2H3,(H,9,12)(H,7,8,11).
What are the key properties of 5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide?
5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide has a molecular weight of 170.17 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 137155159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).