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

C7H12N4O2 — CID 136849724

IUPAC1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide
SMILESCC(C)NC(=O)c1nn(C)c(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-4(2)8-6(12)5-9-7(13)11(3)10-5/h4H,1-3H3,(H,8,12)(H,9,10,13)
InChIKeyQTFZITZNTZOXCQ-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.75
Rot. Bonds2

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

1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide (PubChem CID 136849724) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide
PubChem CID136849724
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide
SMILESCC(C)NC(=O)c1nn(C)c(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-4(2)8-6(12)5-9-7(13)11(3)10-5/h4H,1-3H3,(H,8,12)(H,9,10,13)
InChIKeyQTFZITZNTZOXCQ-UHFFFAOYSA-N
XLogP-0.75
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-isopropyl-2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
CID 90542382
2-(3-Methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide
CID 70382788
N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136452483
N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 142157801
5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide
CID 152709792
1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 155646204
2,4-Dimethyl-6-(propan-2-ylamino)-1,2,4-triazine-3,5-dione
CID 43410453
6-[2-[Di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410497
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-N-propan-2-ylacetamide
CID 43410543
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propan-2-ylacetamide
CID 43410659
2-[(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide
CID 43411262
6-(propan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43411303

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide (CID 136849724) is 1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide is CC(C)NC(=O)c1nn(C)c(=O)[nH]1.
What is the InChIKey of 1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is QTFZITZNTZOXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-4(2)8-6(12)5-9-7(13)11(3)10-5/h4H,1-3H3,(H,8,12)(H,9,10,13).
What are the key properties of 1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide?
1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 184.20 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N-propan-2-yl-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136849724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).