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

C4H6N4O2 — CID 174883158

IUPAC4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide
SMILESCn1c(C(N)=O)n[nH]c1=O
InChIInChI=1S/C4H6N4O2/c1-8-3(2(5)9)6-7-4(8)10/h1H3,(H2,5,9)(H,7,10)
InChIKeyYKQRPRIFQSVDMD-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.79
Rot. Bonds1

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

4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide (PubChem CID 174883158) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide
PubChem CID174883158
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide
SMILESCn1c(C(N)=O)n[nH]c1=O
InChIInChI=1S/C4H6N4O2/c1-8-3(2(5)9)6-7-4(8)10/h1H3,(H2,5,9)(H,7,10)
InChIKeyYKQRPRIFQSVDMD-UHFFFAOYSA-N
XLogP-1.79
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137030761
N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137274277
N-iodo-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 142158032
1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide
CID 148529716
1,4-Dimethyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 172235897
1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 172235964
6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione
CID 23262800
4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione
CID 23262840
6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione
CID 23262896
N-[2-(dimethylamino)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136831994
N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832052
N',N'-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carbohydrazide
CID 137263652

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide (CID 174883158) is 4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide is Cn1c(C(N)=O)n[nH]c1=O.
What is the InChIKey of 4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is YKQRPRIFQSVDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-8-3(2(5)9)6-7-4(8)10/h1H3,(H2,5,9)(H,7,10).
What are the key properties of 4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide?
4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 142.12 g/mol, XLogP of -1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 174883158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).