5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide

C6H10N4O2 — CID 136831978

IUPAC5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H10N4O2/c1-3(2)7-5(11)4-8-6(12)10-9-4/h3H,1-2H3,(H,7,11)(H2,8,9,10,12)
InChIKeyJQAFKKDZHOTHOX-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.76
Rot. Bonds2

About 5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide

5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136831978) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136831978
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H10N4O2/c1-3(2)7-5(11)4-8-6(12)10-9-4/h3H,1-2H3,(H,7,11)(H2,8,9,10,12)
InChIKeyJQAFKKDZHOTHOX-UHFFFAOYSA-N
XLogP-0.76
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide
CID 110701952
N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136710891
N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136778411
N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136715375
5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832112
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136845482
N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 166189190
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136793202
(2R,4S)-2-methyl-4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
CID 135973209
N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136885591
N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832116
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832159

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136831978) is 5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide is CC(C)NC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is JQAFKKDZHOTHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3(2)7-5(11)4-8-6(12)10-9-4/h3H,1-2H3,(H,7,11)(H2,8,9,10,12).
What are the key properties of 5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide?
5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 170.17 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136831978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).