N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine

C15H22N4 — CID 94074032

IUPACN-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine
SMILESCCCn1nc(CNC(C)C)c(-c2ccccc2)n1
InChIInChI=1S/C15H22N4/c1-4-10-19-17-14(11-16-12(2)3)15(18-19)13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3
InChIKeyOSIATBRCUGOVTJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.85
Rot. Bonds6

About N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine

N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine (PubChem CID 94074032) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine
PubChem CID94074032
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine
SMILESCCCn1nc(CNC(C)C)c(-c2ccccc2)n1
InChIInChI=1S/C15H22N4/c1-4-10-19-17-14(11-16-12(2)3)15(18-19)13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3
InChIKeyOSIATBRCUGOVTJ-UHFFFAOYSA-N
XLogP2.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
CID 124805517
N-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
CID 124810179
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine
CID 124805599
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]hexan-1-amine
CID 119027529
(2S)-N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124830978
N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine
CID 94073987
(2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
CID 51684343
2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
CID 124808324
2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
CID 124804746
(2S)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821452
(2R)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821453
(2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
CID 124820127

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine (CID 94074032) is N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine is CCCn1nc(CNC(C)C)c(-c2ccccc2)n1.
What is the InChIKey of N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine?
The InChIKey is OSIATBRCUGOVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-10-19-17-14(11-16-12(2)3)15(18-19)13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3.
What are the key properties of N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine?
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 94074032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).