1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride

C19H25Cl2N5O — CID 119559444

IUPAC1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1nc(C2CC2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C19H24ClN5O.ClH/c20-15-5-1-2-6-16(15)25-18(14-7-8-14)23-17(24-25)19(26)22-11-9-13-4-3-10-21-12-13;/h1-2,5-6,13-14,21H,3-4,7-12H2,(H,22,26);1H
InChIKeyKWOYIROFSLFKSM-UHFFFAOYSA-N
MW410.35 g/mol
LogP3.34
Rot. Bonds6

About 1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride

1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride (PubChem CID 119559444) has the molecular formula C19H25Cl2N5O and a molecular weight of 410.35 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride
PubChem CID119559444
Molecular FormulaC19H25Cl2N5O
Molecular Weight410.35 g/mol
Exact Mass409.14
IUPAC Name1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1nc(C2CC2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C19H24ClN5O.ClH/c20-15-5-1-2-6-16(15)25-18(14-7-8-14)23-17(24-25)19(26)22-11-9-13-4-3-10-21-12-13;/h1-2,5-6,13-14,21H,3-4,7-12H2,(H,22,26);1H
InChIKeyKWOYIROFSLFKSM-UHFFFAOYSA-N
XLogP3.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 119557786
1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide
CID 119463941
1-(2-chlorophenyl)-5-cyclopropyl-N-(3-methylpiperidin-4-yl)-1,2,4-triazole-3-carboxamide
CID 120556967
1-(2,6-dichlorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119464610
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methanone
CID 120657951
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
(3R)-3-[[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]amino]butanoic acid
CID 97234250
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628893
5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
CID 119558985
1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119555330
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride (CID 119559444) is 1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1nc(C2CC2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride?
The InChIKey is KWOYIROFSLFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O.ClH/c20-15-5-1-2-6-16(15)25-18(14-7-8-14)23-17(24-25)19(26)22-11-9-13-4-3-10-21-12-13;/h1-2,5-6,13-14,21H,3-4,7-12H2,(H,22,26);1H.
What are the key properties of 1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride?
1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride has a molecular weight of 410.35 g/mol, XLogP of 3.34, 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-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119559444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).