5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide

C16H14ClN5O2 — CID 17015790

IUPAC5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2N)cc1
InChIInChI=1S/C16H14ClN5O2/c1-24-13-7-5-11(6-8-13)19-16(23)14-15(18)22(21-20-14)12-4-2-3-10(17)9-12/h2-9H,18H2,1H3,(H,19,23)
InChIKeyGKRCMSLBIYHXOY-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.76
Rot. Bonds4

About 5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide

5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide (PubChem CID 17015790) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
PubChem CID17015790
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2N)cc1
InChIInChI=1S/C16H14ClN5O2/c1-24-13-7-5-11(6-8-13)19-16(23)14-15(18)22(21-20-14)12-4-2-3-10(17)9-12/h2-9H,18H2,1H3,(H,19,23)
InChIKeyGKRCMSLBIYHXOY-UHFFFAOYSA-N
XLogP2.76
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748
5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
CID 27261436
5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 17015703
5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015784
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 17015741
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956
1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 50745403
1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177
5-amino-N-(2,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262300
5-amino-1-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 40899499
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide (CID 17015790) is 5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide is COc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2N)cc1.
What is the InChIKey of 5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is GKRCMSLBIYHXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-24-13-7-5-11(6-8-13)19-16(23)14-15(18)22(21-20-14)12-4-2-3-10(17)9-12/h2-9H,18H2,1H3,(H,19,23).
What are the key properties of 5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide?
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 17015790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).