5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide

C8H14N4O2 — CID 152709792

IUPAC5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide
SMILESCCCC(C)n1nc(C(N)=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-3-4-5(2)12-8(14)10-7(11-12)6(9)13/h5H,3-4H2,1-2H3,(H2,9,13)(H,10,11,14)
InChIKeyZTJAHXFVCYSDAT-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.03
Rot. Bonds4

About 5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide

5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide (PubChem CID 152709792) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide
PubChem CID152709792
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide
SMILESCCCC(C)n1nc(C(N)=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-3-4-5(2)12-8(14)10-7(11-12)6(9)13/h5H,3-4H2,1-2H3,(H2,9,13)(H,10,11,14)
InChIKeyZTJAHXFVCYSDAT-UHFFFAOYSA-N
XLogP0.03
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 153443786
1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 155646204
N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832063
1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide
CID 136849723
1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide
CID 136849724
N-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849725
N-butyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849727
N-butan-2-yl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849729
2-methyl-5-(pyrrolidine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849730
N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849731
2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849732
N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849733

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide (CID 152709792) is 5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide is CCCC(C)n1nc(C(N)=O)[nH]c1=O.
What is the InChIKey of 5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is ZTJAHXFVCYSDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-4-5(2)12-8(14)10-7(11-12)6(9)13/h5H,3-4H2,1-2H3,(H2,9,13)(H,10,11,14).
What are the key properties of 5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide?
5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 198.23 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 152709792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).