5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide

C15H12ClFN6O — CID 139268651

IUPAC5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide
SMILESCc1c(F)cccc1-n1nnc(C(=O)Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C15H12ClFN6O/c1-8-10(17)3-2-4-11(8)23-14(18)13(21-22-23)15(24)20-12-6-5-9(16)7-19-12/h2-7H,18H2,1H3,(H,19,20,24)
InChIKeyHDLFPPMBEWASLN-UHFFFAOYSA-N
MW346.75 g/mol
LogP2.60
Rot. Bonds3

About 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide

5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide (PubChem CID 139268651) has the molecular formula C15H12ClFN6O and a molecular weight of 346.75 g/mol. Its IUPAC name is 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide
PubChem CID139268651
Molecular FormulaC15H12ClFN6O
Molecular Weight346.75 g/mol
Exact Mass346.07
IUPAC Name5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide
SMILESCc1c(F)cccc1-n1nnc(C(=O)Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C15H12ClFN6O/c1-8-10(17)3-2-4-11(8)23-14(18)13(21-22-23)15(24)20-12-6-5-9(16)7-19-12/h2-7H,18H2,1H3,(H,19,20,24)
InChIKeyHDLFPPMBEWASLN-UHFFFAOYSA-N
XLogP2.60
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide (CID 139268651) is 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide is Cc1c(F)cccc1-n1nnc(C(=O)Nc2ccc(Cl)cn2)c1N.
What is the InChIKey of 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide?
The InChIKey is HDLFPPMBEWASLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN6O/c1-8-10(17)3-2-4-11(8)23-14(18)13(21-22-23)15(24)20-12-6-5-9(16)7-19-12/h2-7H,18H2,1H3,(H,19,20,24).
What are the key properties of 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide?
5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide has a molecular weight of 346.75 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 139268651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).