2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine

C15H22N4 — CID 114690443

IUPAC2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1cnnn1-c1ccccc1
InChIInChI=1S/C15H22N4/c1-12(2)16-10-13(3)9-15-11-17-18-19(15)14-7-5-4-6-8-14/h4-8,11-13,16H,9-10H2,1-3H3
InChIKeyWLTRLYFHUAKQCL-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.44
Rot. Bonds6

About 2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine

2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 114690443) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
PubChem CID114690443
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1cnnn1-c1ccccc1
InChIInChI=1S/C15H22N4/c1-12(2)16-10-13(3)9-15-11-17-18-19(15)14-7-5-4-6-8-14/h4-8,11-13,16H,9-10H2,1-3H3
InChIKeyWLTRLYFHUAKQCL-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine
CID 114690435
2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 107331259
2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 62530476
5-(3-bromobutyl)-1-phenyltriazole
CID 114690605
N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide
CID 110874281
3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 114691554
4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine
CID 114690410
5-(3-chloro-4-methylpentyl)-1-phenyltriazole
CID 114690591
3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 114691507
N-[(3-phenyltriazol-4-yl)methyl]propan-1-amine
CID 114687766
2-(3-phenyltriazol-4-yl)ethanol
CID 24754561
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine (CID 114690443) is 2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)Cc1cnnn1-c1ccccc1.
What is the InChIKey of 2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is WLTRLYFHUAKQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)16-10-13(3)9-15-11-17-18-19(15)14-7-5-4-6-8-14/h4-8,11-13,16H,9-10H2,1-3H3.
What are the key properties of 2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine?
2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 114690443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).