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

C16H13ClFN5O2 — CID 17015793

IUPAC5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)cc1Cl
InChIInChI=1S/C16H13ClFN5O2/c1-25-13-7-4-10(8-12(13)17)20-16(24)14-15(19)23(22-21-14)11-5-2-9(18)3-6-11/h2-8H,19H2,1H3,(H,20,24)
InChIKeyNYTDZNDYDIAHQU-UHFFFAOYSA-N
MW361.76 g/mol
LogP2.90
Rot. Bonds4

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

5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide (PubChem CID 17015793) has the molecular formula C16H13ClFN5O2 and a molecular weight of 361.76 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
PubChem CID17015793
Molecular FormulaC16H13ClFN5O2
Molecular Weight361.76 g/mol
Exact Mass361.07
IUPAC Name5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)cc1Cl
InChIInChI=1S/C16H13ClFN5O2/c1-25-13-7-4-10(8-12(13)17)20-16(24)14-15(19)23(22-21-14)11-5-2-9(18)3-6-11/h2-8H,19H2,1H3,(H,20,24)
InChIKeyNYTDZNDYDIAHQU-UHFFFAOYSA-N
XLogP2.90
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015784
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26245553
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734
N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17014902
5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8556881
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2144859
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790
N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108989593
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157636
5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 17015721
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide (CID 17015793) is 5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide is COc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)cc1Cl.
What is the InChIKey of 5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide?
The InChIKey is NYTDZNDYDIAHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O2/c1-25-13-7-4-10(8-12(13)17)20-16(24)14-15(19)23(22-21-14)11-5-2-9(18)3-6-11/h2-8H,19H2,1H3,(H,20,24).
What are the key properties of 5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide?
5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide has a molecular weight of 361.76 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 17015793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).