3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride

C11H15ClN4 — CID 86262386

IUPAC3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C11H14N4.ClH/c12-7-4-8-15-9-11(13-14-15)10-5-2-1-3-6-10;/h1-3,5-6,9H,4,7-8,12H2;1H
InChIKeyGDWZFLGJHLHULX-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.72
Rot. Bonds4

About 3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride

3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride (PubChem CID 86262386) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride
PubChem CID86262386
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C11H14N4.ClH/c12-7-4-8-15-9-11(13-14-15)10-5-2-1-3-6-10;/h1-3,5-6,9H,4,7-8,12H2;1H
InChIKeyGDWZFLGJHLHULX-UHFFFAOYSA-N
XLogP1.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride (CID 86262386) is 3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride is Cl.NCCCn1cc(-c2ccccc2)nn1.
What is the InChIKey of 3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride?
The InChIKey is GDWZFLGJHLHULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.ClH/c12-7-4-8-15-9-11(13-14-15)10-5-2-1-3-6-10;/h1-3,5-6,9H,4,7-8,12H2;1H.
What are the key properties of 3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride?
3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 86262386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).