2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride

C16H25ClN4 — CID 154912331

IUPAC2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride
SMILESCC(C)Cc1nc(CCN)n(CCc2ccccc2)n1.Cl
InChIInChI=1S/C16H24N4.ClH/c1-13(2)12-15-18-16(8-10-17)20(19-15)11-9-14-6-4-3-5-7-14;/h3-7,13H,8-12,17H2,1-2H3;1H
InChIKeySOOGJGHKBQBNQI-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.64
Rot. Bonds7

About 2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride

2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride (PubChem CID 154912331) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride
PubChem CID154912331
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride
SMILESCC(C)Cc1nc(CCN)n(CCc2ccccc2)n1.Cl
InChIInChI=1S/C16H24N4.ClH/c1-13(2)12-15-18-16(8-10-17)20(19-15)11-9-14-6-4-3-5-7-14;/h3-7,13H,8-12,17H2,1-2H3;1H
InChIKeySOOGJGHKBQBNQI-UHFFFAOYSA-N
XLogP2.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine
CID 62746647
2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine
CID 82067691
1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol
CID 131924260
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine
CID 62730416
2-[4-[[2-(3-methylbutyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]phenyl]benzoic acid
CID 19750612
2-[4-[5-(2-methylpropyl)-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]phenyl]ethanamine
CID 54019460
3-chloro-5-methyl-1-(2-phenylethyl)-1,2,4-triazole;hydrochloride
CID 52997057
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
2-[5-[[3-(2-methylpropyl)-5-propyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]benzoic acid
CID 19976293
2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 98015664
5-methyl-1-(2-phenylethyl)pyrazole
CID 10419930
2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethanamine
CID 95223429

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride (CID 154912331) is 2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride is CC(C)Cc1nc(CCN)n(CCc2ccccc2)n1.Cl.
What is the InChIKey of 2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride?
The InChIKey is SOOGJGHKBQBNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4.ClH/c1-13(2)12-15-18-16(8-10-17)20(19-15)11-9-14-6-4-3-5-7-14;/h3-7,13H,8-12,17H2,1-2H3;1H.
What are the key properties of 2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride?
2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride has a molecular weight of 308.86 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 154912331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).