1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide

C17H22ClN5O — CID 95572722

IUPAC1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@@H](C2CC2)N(C)C)nnn1-c1ccccc1Cl
InChIInChI=1S/C17H22ClN5O/c1-11-16(17(24)19-10-15(22(2)3)12-8-9-12)20-21-23(11)14-7-5-4-6-13(14)18/h4-7,12,15H,8-10H2,1-3H3,(H,19,24)/t15-/m0/s1
InChIKeyQVWXCDHQTVEZKB-HNNXBMFYSA-N
MW347.85 g/mol
LogP2.30
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide

1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide (PubChem CID 95572722) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
PubChem CID95572722
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@@H](C2CC2)N(C)C)nnn1-c1ccccc1Cl
InChIInChI=1S/C17H22ClN5O/c1-11-16(17(24)19-10-15(22(2)3)12-8-9-12)20-21-23(11)14-7-5-4-6-13(14)18/h4-7,12,15H,8-10H2,1-3H3,(H,19,24)/t15-/m0/s1
InChIKeyQVWXCDHQTVEZKB-HNNXBMFYSA-N
XLogP2.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250
1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
CID 6493785
1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide
CID 56801333
[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488163
ethyl 3-[[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16648450
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]methanone
CID 124611214
1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide
CID 99818166
(2S)-3-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-2-cyano-N-methyl-3-oxopropanamide
CID 98361607
(2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 122140680
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]methanone;hydrochloride
CID 120817403
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazole-4-carboxamide
CID 119032814
1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]piperidine-3-carboxylic acid
CID 75469060

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide (CID 95572722) is 1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide is Cc1c(C(=O)NC[C@@H](C2CC2)N(C)C)nnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide?
The InChIKey is QVWXCDHQTVEZKB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-11-16(17(24)19-10-15(22(2)3)12-8-9-12)20-21-23(11)14-7-5-4-6-13(14)18/h4-7,12,15H,8-10H2,1-3H3,(H,19,24)/t15-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide?
1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 95572722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).