(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine

C16H22N4 — CID 104983689

IUPAC(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
SMILESN[C@@H](CCc1ccccc1)c1nncn1C1CCCC1
InChIInChI=1S/C16H22N4/c17-15(11-10-13-6-2-1-3-7-13)16-19-18-12-20(16)14-8-4-5-9-14/h1-3,6-7,12,14-15H,4-5,8-11,17H2/t15-/m0/s1
InChIKeyPRHWMBKZKHMMNK-HNNXBMFYSA-N
MW270.38 g/mol
LogP3.03
Rot. Bonds5

About (1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine

(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine (PubChem CID 104983689) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is (1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
PubChem CID104983689
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
SMILESN[C@@H](CCc1ccccc1)c1nncn1C1CCCC1
InChIInChI=1S/C16H22N4/c17-15(11-10-13-6-2-1-3-7-13)16-19-18-12-20(16)14-8-4-5-9-14/h1-3,6-7,12,14-15H,4-5,8-11,17H2/t15-/m0/s1
InChIKeyPRHWMBKZKHMMNK-HNNXBMFYSA-N
XLogP3.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine
CID 114920922
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine
CID 62710919
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 24707659
3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
CID 80541547
(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine
CID 104941977
1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine
CID 81082373
3-(4-cyclohexyl-1,2,4-triazol-3-yl)butan-1-amine
CID 80541548
2-(4-cyclohexyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65226790
(4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine
CID 113278965
(1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol
CID 94554751
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine?
The IUPAC name of (1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine (CID 104983689) is (1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for (1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine?
The canonical SMILES for (1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine is N[C@@H](CCc1ccccc1)c1nncn1C1CCCC1.
What is the InChIKey of (1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine?
The InChIKey is PRHWMBKZKHMMNK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4/c17-15(11-10-13-6-2-1-3-7-13)16-19-18-12-20(16)14-8-4-5-9-14/h1-3,6-7,12,14-15H,4-5,8-11,17H2/t15-/m0/s1.
What are the key properties of (1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine?
(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 104983689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).