N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C8H14N4O2 — CID 136832063

IUPACN-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C8H14N4O2/c1-3-4-5-12(2)7(13)6-9-8(14)11-10-6/h3-5H2,1-2H3,(H2,9,10,11,14)
InChIKeyZCCGGIICCZFAIY-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.03
Rot. Bonds4

About N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136832063) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136832063
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C8H14N4O2/c1-3-4-5-12(2)7(13)6-9-8(14)11-10-6/h3-5H2,1-2H3,(H2,9,10,11,14)
InChIKeyZCCGGIICCZFAIY-UHFFFAOYSA-N
XLogP-0.03
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62081030
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4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799
N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388870
5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43159518
N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373285
N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 110855738
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110855743
5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414823
N-butyl-N,2-dimethylpropanamide
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CID 43452774

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136832063) is N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CCCCN(C)C(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is ZCCGGIICCZFAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-4-5-12(2)7(13)6-9-8(14)11-10-6/h3-5H2,1-2H3,(H2,9,10,11,14).
What are the key properties of N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-butyl-N-methyl-5-oxo-1,4-dihydro-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 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136832063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).