1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide

C17H17ClN6O — CID 45200047

IUPAC1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide
SMILESCC(Cc1cnccn1)NC(=O)c1cn(Cc2cccc(Cl)c2)nn1
InChIInChI=1S/C17H17ClN6O/c1-12(7-15-9-19-5-6-20-15)21-17(25)16-11-24(23-22-16)10-13-3-2-4-14(18)8-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,21,25)
InChIKeyTZUKHGXSRUCOTQ-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.13
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide

1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide (PubChem CID 45200047) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide
PubChem CID45200047
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide
SMILESCC(Cc1cnccn1)NC(=O)c1cn(Cc2cccc(Cl)c2)nn1
InChIInChI=1S/C17H17ClN6O/c1-12(7-15-9-19-5-6-20-15)21-17(25)16-11-24(23-22-16)10-13-3-2-4-14(18)8-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,21,25)
InChIKeyTZUKHGXSRUCOTQ-UHFFFAOYSA-N
XLogP2.13
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
CID 45182739
1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide
CID 56905367
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
CID 42519718
4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 81227390
N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 51728766
5-methyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazine-2-carboxamide
CID 91779730
2,5-dichloro-N-[2-oxo-2-(1-pyrazin-2-ylpropan-2-ylamino)ethyl]benzamide
CID 91782726
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanol
CID 81444396
1-benzyl-N-[(1S)-1-(3,4-difluorophenyl)ethyl]triazole-4-carboxamide
CID 51646685
(2S)-2-[[1-(pyridin-2-ylmethyl)triazole-4-carbonyl]amino]propanoic acid
CID 119943054
1-benzyl-N-(2,5-dichlorophenyl)triazole-4-carboxamide
CID 31701106
N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride
CID 119587268

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide (CID 45200047) is 1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide is CC(Cc1cnccn1)NC(=O)c1cn(Cc2cccc(Cl)c2)nn1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide?
The InChIKey is TZUKHGXSRUCOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-12(7-15-9-19-5-6-20-15)21-17(25)16-11-24(23-22-16)10-13-3-2-4-14(18)8-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,21,25).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide has a molecular weight of 356.82 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 45200047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).