1-[(3R)-3-phenylpentyl]-1,2,4-triazole

C13H17N3 — CID 25170487

IUPAC1-[(3R)-3-phenylpentyl]-1,2,4-triazole
SMILESCC[C@H](CCn1cncn1)c1ccccc1
InChIInChI=1S/C13H17N3/c1-2-12(13-6-4-3-5-7-13)8-9-16-11-14-10-15-16/h3-7,10-12H,2,8-9H2,1H3/t12-/m1/s1
InChIKeyYRAYCMUIHGZPKZ-GFCCVEGCSA-N
MW215.30 g/mol
LogP2.86
Rot. Bonds5

About 1-[(3R)-3-phenylpentyl]-1,2,4-triazole

1-[(3R)-3-phenylpentyl]-1,2,4-triazole (PubChem CID 25170487) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[(3R)-3-phenylpentyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(3R)-3-phenylpentyl]-1,2,4-triazole
PubChem CID25170487
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-[(3R)-3-phenylpentyl]-1,2,4-triazole
SMILESCC[C@H](CCn1cncn1)c1ccccc1
InChIInChI=1S/C13H17N3/c1-2-12(13-6-4-3-5-7-13)8-9-16-11-14-10-15-16/h3-7,10-12H,2,8-9H2,1H3/t12-/m1/s1
InChIKeyYRAYCMUIHGZPKZ-GFCCVEGCSA-N
XLogP2.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-phenylpentyl]-1,2,4-triazole?
The IUPAC name of 1-[(3R)-3-phenylpentyl]-1,2,4-triazole (CID 25170487) is 1-[(3R)-3-phenylpentyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(3R)-3-phenylpentyl]-1,2,4-triazole?
The canonical SMILES for 1-[(3R)-3-phenylpentyl]-1,2,4-triazole is CC[C@H](CCn1cncn1)c1ccccc1.
What is the InChIKey of 1-[(3R)-3-phenylpentyl]-1,2,4-triazole?
The InChIKey is YRAYCMUIHGZPKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-12(13-6-4-3-5-7-13)8-9-16-11-14-10-15-16/h3-7,10-12H,2,8-9H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-phenylpentyl]-1,2,4-triazole?
1-[(3R)-3-phenylpentyl]-1,2,4-triazole has a molecular weight of 215.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-phenylpentyl]-1,2,4-triazole is sourced from PubChem (CID 25170487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).