4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide

C14H19N5O2 — CID 19108289

IUPAC4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide
SMILESCCC(C)N(C(=O)n1nc(C)n(N)c1=O)c1ccccc1
InChIInChI=1S/C14H19N5O2/c1-4-10(2)17(12-8-6-5-7-9-12)13(20)19-14(21)18(15)11(3)16-19/h5-10H,4,15H2,1-3H3
InChIKeyOGHLCBIIJFICLK-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.34
Rot. Bonds3

About 4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide

4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide (PubChem CID 19108289) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide
PubChem CID19108289
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide
SMILESCCC(C)N(C(=O)n1nc(C)n(N)c1=O)c1ccccc1
InChIInChI=1S/C14H19N5O2/c1-4-10(2)17(12-8-6-5-7-9-12)13(20)19-14(21)18(15)11(3)16-19/h5-10H,4,15H2,1-3H3
InChIKeyOGHLCBIIJFICLK-UHFFFAOYSA-N
XLogP1.34
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 14405282
N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide
CID 14857263
ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate
CID 134863157
ethyl 3-(N-ethoxycarbonylanilino)-2-methylbutanoate
CID 134521705
4-(2-chloroethyl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide
CID 18924584
N-butan-2-yl-N-phenylcyclohexanecarboxamide
CID 153425263
propyl N-phenyl-N-propan-2-ylcarbamate
CID 71384708
N,3-dimethyl-N-phenylpentanamide
CID 147359069
N-butan-2-yl-4-(2-methylphenyl)-5-oxo-N-propyltetrazole-1-carboxamide
CID 22370212
benzene-1,2-diol;diethyl 2-methylpropanedioate
CID 174542693
[(N-carboxyanilino)-(N-propoxycarbonylanilino)methyl]-phenylcarbamic acid
CID 139823200
4-[butan-2-yl(carbamoyl)amino]benzoic acid
CID 67181418

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of 4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide (CID 19108289) is 4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide is CCC(C)N(C(=O)n1nc(C)n(N)c1=O)c1ccccc1.
What is the InChIKey of 4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide?
The InChIKey is OGHLCBIIJFICLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-10(2)17(12-8-6-5-7-9-12)13(20)19-14(21)18(15)11(3)16-19/h5-10H,4,15H2,1-3H3.
What are the key properties of 4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide?
4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-3-methyl-5-oxo-N-phenyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 19108289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).