1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine

C12H16N4 — CID 114687299

IUPAC1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine
SMILESCn1nncc1C(N)CCc1ccccc1
InChIInChI=1S/C12H16N4/c1-16-12(9-14-15-16)11(13)8-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3
InChIKeyVKKQMCHKUFDPLX-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.45
Rot. Bonds4

About 1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine

1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine (PubChem CID 114687299) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine
PubChem CID114687299
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine
SMILESCn1nncc1C(N)CCc1ccccc1
InChIInChI=1S/C12H16N4/c1-16-12(9-14-15-16)11(13)8-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3
InChIKeyVKKQMCHKUFDPLX-UHFFFAOYSA-N
XLogP1.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine
CID 105043651
4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114688588
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
2-(2-bromophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114688242
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine
CID 131011065
1-(3-methyltriazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 130730117
2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine
CID 114687245
1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 105093971
(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 103128231
1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043778

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine (CID 114687299) is 1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine is Cn1nncc1C(N)CCc1ccccc1.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine?
The InChIKey is VKKQMCHKUFDPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-12(9-14-15-16)11(13)8-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine?
1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 114687299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).