1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine

C19H23N5 — CID 8851244

IUPAC1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESCN(C)Cc1ccc(CNCc2cnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H23N5/c1-23(2)15-17-10-8-16(9-11-17)12-20-13-18-14-21-24(22-18)19-6-4-3-5-7-19/h3-11,14,20H,12-13,15H2,1-2H3
InChIKeyFNPQROHFDGOBPL-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.62
Rot. Bonds7

About 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine

1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine (PubChem CID 8851244) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine
PubChem CID8851244
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESCN(C)Cc1ccc(CNCc2cnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H23N5/c1-23(2)15-17-10-8-16(9-11-17)12-20-13-18-14-21-24(22-18)19-6-4-3-5-7-19/h3-11,14,20H,12-13,15H2,1-2H3
InChIKeyFNPQROHFDGOBPL-UHFFFAOYSA-N
XLogP2.62
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine (CID 8851244) is 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine is CN(C)Cc1ccc(CNCc2cnn(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The InChIKey is FNPQROHFDGOBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-23(2)15-17-10-8-16(9-11-17)12-20-13-18-14-21-24(22-18)19-6-4-3-5-7-19/h3-11,14,20H,12-13,15H2,1-2H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine has a molecular weight of 321.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 8851244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).