2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine

C13H18N4 — CID 82206303

IUPAC2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine
SMILESCc1c(CCN)nnn1C(C)c1ccccc1
InChIInChI=1S/C13H18N4/c1-10(12-6-4-3-5-7-12)17-11(2)13(8-9-14)15-16-17/h3-7,10H,8-9,14H2,1-2H3
InChIKeyJEHLIEIOPGBYJD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.70
Rot. Bonds4

About 2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine

2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine (PubChem CID 82206303) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine
PubChem CID82206303
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine
SMILESCc1c(CCN)nnn1C(C)c1ccccc1
InChIInChI=1S/C13H18N4/c1-10(12-6-4-3-5-7-12)17-11(2)13(8-9-14)15-16-17/h3-7,10H,8-9,14H2,1-2H3
InChIKeyJEHLIEIOPGBYJD-UHFFFAOYSA-N
XLogP1.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol
CID 82206301
[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206167
3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine
CID 82228413
[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82206282
[5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine
CID 82206285
2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethanamine
CID 95223429
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
[5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206224
ethyl 1-(1-phenylethyl)-5-propan-2-yltriazole-4-carboxylate
CID 103105215
5-(2-methylpropyl)-1-(1-phenylethyl)triazole-4-carboxylic acid
CID 82206153
4-methyl-1-(1-phenylethyl)pyrazol-5-amine
CID 43148081
3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine
CID 82702115

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine (CID 82206303) is 2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine is Cc1c(CCN)nnn1C(C)c1ccccc1.
What is the InChIKey of 2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine?
The InChIKey is JEHLIEIOPGBYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(12-6-4-3-5-7-12)17-11(2)13(8-9-14)15-16-17/h3-7,10H,8-9,14H2,1-2H3.
What are the key properties of 2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine?
2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 82206303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).