3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine

C15H22N4 — CID 114691554

IUPAC3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cnnn1C)c1ccccc1
InChIInChI=1S/C15H22N4/c1-12(2)16-10-14(13-7-5-4-6-8-13)9-15-11-17-18-19(15)3/h4-8,11-12,14,16H,9-10H2,1-3H3
InChIKeyZCLPERZRLQAVGL-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.14
Rot. Bonds6

About 3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine

3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine (PubChem CID 114691554) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
PubChem CID114691554
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cnnn1C)c1ccccc1
InChIInChI=1S/C15H22N4/c1-12(2)16-10-14(13-7-5-4-6-8-13)9-15-11-17-18-19(15)3/h4-8,11-12,14,16H,9-10H2,1-3H3
InChIKeyZCLPERZRLQAVGL-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1S)-1-(benzylamino)-1-cyclohexylethyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 71452494
1-Benzyl-4-hexyl-triazole
CID 54772019
4-(1-methyl-1H-1,2,3-triazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45271593
(2R)-4-(4-methyltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 147962139
(2R)-4-(4-tert-butyltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 149481187
trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
CID 164624543
1-Benzyl-4-decyl-1H-1,2,3-triazole
CID 46204132
1-Benzyl-4-cyclohexyl-1 h-1,2,3-triazole
CID 54772021
1-Benzyl-4-butyl-1H-1,2,3-triazole
CID 24887144
1-Benzyl-4-heptyltriazole
CID 54772020
N-methyl-N-[2-[4-[(1-methyltriazol-4-yl)methyl]phenyl]ethyl]prop-2-yn-1-amine
CID 132579939
2-[1-[(3,5-Ditert-butylphenyl)methyl]triazol-4-yl]ethanamine;hydrochloride
CID 137642717

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine (CID 114691554) is 3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1cnnn1C)c1ccccc1.
What is the InChIKey of 3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The InChIKey is ZCLPERZRLQAVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)16-10-14(13-7-5-4-6-8-13)9-15-11-17-18-19(15)3/h4-8,11-12,14,16H,9-10H2,1-3H3.
What are the key properties of 3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 114691554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).