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

C17H17FN4 — CID 119027461

IUPAC1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine
SMILESCn1nc(CNCc2ccc(F)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H17FN4/c1-22-20-16(17(21-22)14-5-3-2-4-6-14)12-19-11-13-7-9-15(18)10-8-13/h2-10,19H,11-12H2,1H3
InChIKeyFDCBPJUAJANLEJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.91
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine (PubChem CID 119027461) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine
PubChem CID119027461
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine
SMILESCn1nc(CNCc2ccc(F)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H17FN4/c1-22-20-16(17(21-22)14-5-3-2-4-6-14)12-19-11-13-7-9-15(18)10-8-13/h2-10,19H,11-12H2,1H3
InChIKeyFDCBPJUAJANLEJ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine (CID 119027461) is 1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine is Cn1nc(CNCc2ccc(F)cc2)c(-c2ccccc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine?
The InChIKey is FDCBPJUAJANLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-22-20-16(17(21-22)14-5-3-2-4-6-14)12-19-11-13-7-9-15(18)10-8-13/h2-10,19H,11-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine?
1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine has a molecular weight of 296.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 119027461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).