1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile

C15H10FN5 — CID 82203545

IUPAC1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile
SMILESN#Cc1nnn(Cc2ccc(F)cc2)c1-c1cccnc1
InChIInChI=1S/C15H10FN5/c16-13-5-3-11(4-6-13)10-21-15(14(8-17)19-20-21)12-2-1-7-18-9-12/h1-7,9H,10H2
InChIKeySXAHMKJHWLVIHW-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.40
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile

1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile (PubChem CID 82203545) has the molecular formula C15H10FN5 and a molecular weight of 279.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile
PubChem CID82203545
Molecular FormulaC15H10FN5
Molecular Weight279.28 g/mol
Exact Mass279.09
IUPAC Name1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile
SMILESN#Cc1nnn(Cc2ccc(F)cc2)c1-c1cccnc1
InChIInChI=1S/C15H10FN5/c16-13-5-3-11(4-6-13)10-21-15(14(8-17)19-20-21)12-2-1-7-18-9-12/h1-7,9H,10H2
InChIKeySXAHMKJHWLVIHW-UHFFFAOYSA-N
XLogP2.40
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile (CID 82203545) is 1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile is N#Cc1nnn(Cc2ccc(F)cc2)c1-c1cccnc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile?
The InChIKey is SXAHMKJHWLVIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5/c16-13-5-3-11(4-6-13)10-21-15(14(8-17)19-20-21)12-2-1-7-18-9-12/h1-7,9H,10H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile?
1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile has a molecular weight of 279.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile is sourced from PubChem (CID 82203545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).