N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride

C22H24ClN5O — CID 119455718

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H23N5O.ClH/c28-22(24-18-13-16-11-12-17(14-18)23-16)20-25-21(15-7-3-1-4-8-15)27(26-20)19-9-5-2-6-10-19;/h1-10,16-18,23H,11-14H2,(H,24,28);1H
InChIKeyWQYKJHHUGLUSQB-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.37
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride (PubChem CID 119455718) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride
PubChem CID119455718
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H23N5O.ClH/c28-22(24-18-13-16-11-12-17(14-18)23-16)20-25-21(15-7-3-1-4-8-15)27(26-20)19-9-5-2-6-10-19;/h1-10,16-18,23H,11-14H2,(H,24,28);1H
InChIKeyWQYKJHHUGLUSQB-UHFFFAOYSA-N
XLogP3.37
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 46636610
N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2448076
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119459274
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 119455183
N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 46569141
N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 30992875
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 119457174
1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid
CID 167804672
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 7457580
N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 60553494
5-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 95159383

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride (CID 119455718) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The InChIKey is WQYKJHHUGLUSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O.ClH/c28-22(24-18-13-16-11-12-17(14-18)23-16)20-25-21(15-7-3-1-4-8-15)27(26-20)19-9-5-2-6-10-19;/h1-10,16-18,23H,11-14H2,(H,24,28);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride has a molecular weight of 409.92 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119455718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).