1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide

C17H22ClN5O2 — CID 51129452

IUPAC1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)N(CC)CC(=O)N(C)C)nn1-c1ccccc1Cl
InChIInChI=1S/C17H22ClN5O2/c1-5-14-19-16(17(25)22(6-2)11-15(24)21(3)4)20-23(14)13-10-8-7-9-12(13)18/h7-10H,5-6,11H2,1-4H3
InChIKeyKRCKJSODWPKSLZ-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.03
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide

1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide (PubChem CID 51129452) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide
PubChem CID51129452
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Name1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)N(CC)CC(=O)N(C)C)nn1-c1ccccc1Cl
InChIInChI=1S/C17H22ClN5O2/c1-5-14-19-16(17(25)22(6-2)11-15(24)21(3)4)20-23(14)13-10-8-7-9-12(13)18/h7-10H,5-6,11H2,1-4H3
InChIKeyKRCKJSODWPKSLZ-UHFFFAOYSA-N
XLogP2.03
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide
CID 95594230
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-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide
CID 111428960
3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide
CID 56812632
1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 120948347
3-[[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71269064
1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide
CID 71934956
[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 86874232
[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032429
2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid
CID 122067149
3-[[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71268928
1-(2-chlorophenyl)-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 51099460

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide (CID 51129452) is 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)N(CC)CC(=O)N(C)C)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is KRCKJSODWPKSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-5-14-19-16(17(25)22(6-2)11-15(24)21(3)4)20-23(14)13-10-8-7-9-12(13)18/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide?
1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 51129452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).