N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

C15H11ClFN5O — CID 70250624

IUPACN-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cncc(Cl)c2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C15H11ClFN5O/c1-9-14(15(23)19-12-6-10(16)7-18-8-12)20-21-22(9)13-4-2-11(17)3-5-13/h2-8H,1H3,(H,19,23)
InChIKeyANILWWWILDCKMJ-UHFFFAOYSA-N
MW331.74 g/mol
LogP3.02
Rot. Bonds3

About N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 70250624) has the molecular formula C15H11ClFN5O and a molecular weight of 331.74 g/mol. Its IUPAC name is N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID70250624
Molecular FormulaC15H11ClFN5O
Molecular Weight331.74 g/mol
Exact Mass331.06
IUPAC NameN-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cncc(Cl)c2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C15H11ClFN5O/c1-9-14(15(23)19-12-6-10(16)7-18-8-12)20-21-22(9)13-4-2-11(17)3-5-13/h2-8H,1H3,(H,19,23)
InChIKeyANILWWWILDCKMJ-UHFFFAOYSA-N
XLogP3.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (CID 70250624) is N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is Cc1c(C(=O)Nc2cncc(Cl)c2)nnn1-c1ccc(F)cc1.
What is the InChIKey of N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is ANILWWWILDCKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O/c1-9-14(15(23)19-12-6-10(16)7-18-8-12)20-21-22(9)13-4-2-11(17)3-5-13/h2-8H,1H3,(H,19,23).
What are the key properties of N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 331.74 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-pyridinyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 70250624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).