[6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine

C18H15N5 — CID 150205928

IUPAC[6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine
SMILESNCc1ccc2cc(-c3cn(-c4ccccc4)nn3)ccc2n1
InChIInChI=1S/C18H15N5/c19-11-15-8-6-13-10-14(7-9-17(13)20-15)18-12-23(22-21-18)16-4-2-1-3-5-16/h1-10,12H,11,19H2
InChIKeyFQMFFERKTXONPY-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.94
Rot. Bonds3

About [6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine

[6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine (PubChem CID 150205928) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is [6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine
PubChem CID150205928
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name[6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine
SMILESNCc1ccc2cc(-c3cn(-c4ccccc4)nn3)ccc2n1
InChIInChI=1S/C18H15N5/c19-11-15-8-6-13-10-14(7-9-17(13)20-15)18-12-23(22-21-18)16-4-2-1-3-5-16/h1-10,12H,11,19H2
InChIKeyFQMFFERKTXONPY-UHFFFAOYSA-N
XLogP2.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine?
The IUPAC name of [6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine (CID 150205928) is [6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine.
What is the SMILES notation for [6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine?
The canonical SMILES for [6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine is NCc1ccc2cc(-c3cn(-c4ccccc4)nn3)ccc2n1.
What is the InChIKey of [6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine?
The InChIKey is FQMFFERKTXONPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c19-11-15-8-6-13-10-14(7-9-17(13)20-15)18-12-23(22-21-18)16-4-2-1-3-5-16/h1-10,12H,11,19H2.
What are the key properties of [6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine?
[6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine has a molecular weight of 301.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine is sourced from PubChem (CID 150205928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).