[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine

C15H14FN5 — CID 82211840

IUPAC[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine
SMILESNCc1nnn(Cc2cccc(F)c2)c1-c1cccnc1
InChIInChI=1S/C15H14FN5/c16-13-5-1-3-11(7-13)10-21-15(14(8-17)19-20-21)12-4-2-6-18-9-12/h1-7,9H,8,10,17H2
InChIKeyZDQFHJXKTQZUJP-UHFFFAOYSA-N
MW283.31 g/mol
LogP1.99
Rot. Bonds4

About [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine

[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine (PubChem CID 82211840) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine
PubChem CID82211840
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine
SMILESNCc1nnn(Cc2cccc(F)c2)c1-c1cccnc1
InChIInChI=1S/C15H14FN5/c16-13-5-1-3-11(7-13)10-21-15(14(8-17)19-20-21)12-4-2-6-18-9-12/h1-7,9H,8,10,17H2
InChIKeyZDQFHJXKTQZUJP-UHFFFAOYSA-N
XLogP1.99
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82211803
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879
[5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 82211157
3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine
CID 82211859
[5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine
CID 82211827
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279
[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82203247
1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile
CID 82203545
[1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82198469
1-[(3-chlorophenyl)methyl]-5-(3-fluorophenyl)triazole-4-carbonitrile
CID 94943388

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine?
The IUPAC name of [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine (CID 82211840) is [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine is NCc1nnn(Cc2cccc(F)c2)c1-c1cccnc1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine?
The InChIKey is ZDQFHJXKTQZUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c16-13-5-1-3-11(7-13)10-21-15(14(8-17)19-20-21)12-4-2-6-18-9-12/h1-7,9H,8,10,17H2.
What are the key properties of [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine?
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine has a molecular weight of 283.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine is sourced from PubChem (CID 82211840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).