1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide

C15H19ClN4O2 — CID 111428960

IUPAC1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCCC(C)O)nn1-c1ccccc1Cl
InChIInChI=1S/C15H19ClN4O2/c1-3-13-18-14(15(22)17-9-8-10(2)21)19-20(13)12-7-5-4-6-11(12)16/h4-7,10,21H,3,8-9H2,1-2H3,(H,17,22)
InChIKeySNXLKAUGOYMCSW-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.98
Rot. Bonds6

About 1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide

1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide (PubChem CID 111428960) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide
PubChem CID111428960
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCCC(C)O)nn1-c1ccccc1Cl
InChIInChI=1S/C15H19ClN4O2/c1-3-13-18-14(15(22)17-9-8-10(2)21)19-20(13)12-7-5-4-6-11(12)16/h4-7,10,21H,3,8-9H2,1-2H3,(H,17,22)
InChIKeySNXLKAUGOYMCSW-UHFFFAOYSA-N
XLogP1.98
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-(3-hydroxybutyl)-5-propyl-1,2,4-triazole-3-carboxamide
CID 111462985
N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119385059
3-[[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71269064
1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 120948347
1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide
CID 71934956
3-[[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71268928
3-[[1-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carbonyl]amino]propanoic acid
CID 119351171
2-[[5-ethyl-1-(2-fluorophenyl)-1,2,4-triazole-3-carbonyl]amino]propanoic acid
CID 119348935
1-(4-chlorophenyl)-N-(3-hydroxybutyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 111433492
1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide
CID 95594224
1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide
CID 95594230
1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide
CID 51129452

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide (CID 111428960) is 1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCCC(C)O)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is SNXLKAUGOYMCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-3-13-18-14(15(22)17-9-8-10(2)21)19-20(13)12-7-5-4-6-11(12)16/h4-7,10,21H,3,8-9H2,1-2H3,(H,17,22).
What are the key properties of 1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide?
1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 322.80 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 111428960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).