1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide

C17H13ClN6O — CID 55870098

IUPAC1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3[nH]ncc3c2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN6O/c1-10-16(22-23-24(10)14-4-2-3-12(18)8-14)17(25)20-13-5-6-15-11(7-13)9-19-21-15/h2-9H,1H3,(H,19,21)(H,20,25)
InChIKeyJQVIVNLZVIOEBC-UHFFFAOYSA-N
MW352.79 g/mol
LogP3.36
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide

1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide (PubChem CID 55870098) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide
PubChem CID55870098
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC Name1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3[nH]ncc3c2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN6O/c1-10-16(22-23-24(10)14-4-2-3-12(18)8-14)17(25)20-13-5-6-15-11(7-13)9-19-21-15/h2-9H,1H3,(H,19,21)(H,20,25)
InChIKeyJQVIVNLZVIOEBC-UHFFFAOYSA-N
XLogP3.36
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide
CID 16649095
1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177
1-(3-chlorophenyl)-5-methyl-N-(4-piperidin-1-ylphenyl)triazole-4-carboxamide
CID 60527463
1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 58191737
5-methyl-1-(3-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)triazole-4-carboxamide
CID 137278277
1-(3-chlorophenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-5-methyltriazole-4-carboxamide
CID 91651550
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
4-(3-chlorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11280490
1-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46858045
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide (CID 55870098) is 1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3[nH]ncc3c2)nnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide?
The InChIKey is JQVIVNLZVIOEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c1-10-16(22-23-24(10)14-4-2-3-12(18)8-14)17(25)20-13-5-6-15-11(7-13)9-19-21-15/h2-9H,1H3,(H,19,21)(H,20,25).
What are the key properties of 1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide?
1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide has a molecular weight of 352.79 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 55870098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).