1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine

C17H17FN4 — CID 119027423

IUPAC1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine
SMILESCNCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H17FN4/c1-19-11-16-17(14-5-3-2-4-6-14)21-22(20-16)12-13-7-9-15(18)10-8-13/h2-10,19H,11-12H2,1H3
InChIKeyMZORJMUYOJCGGP-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.85
Rot. Bonds5

About 1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine

1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine (PubChem CID 119027423) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine
PubChem CID119027423
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine
SMILESCNCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H17FN4/c1-19-11-16-17(14-5-3-2-4-6-14)21-22(20-16)12-13-7-9-15(18)10-8-13/h2-10,19H,11-12H2,1H3
InChIKeyMZORJMUYOJCGGP-UHFFFAOYSA-N
XLogP2.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine (CID 119027423) is 1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine is CNCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine?
The InChIKey is MZORJMUYOJCGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-19-11-16-17(14-5-3-2-4-6-14)21-22(20-16)12-13-7-9-15(18)10-8-13/h2-10,19H,11-12H2,1H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine?
1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine has a molecular weight of 296.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 119027423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).