2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride

C11H15ClN4 — CID 71755859

IUPAC2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride
SMILESCC(C)(N)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C11H14N4.ClH/c1-11(2,12)10-8-15(14-13-10)9-6-4-3-5-7-9;/h3-8H,12H2,1-2H3;1H
InChIKeySUSRGULETWZIKC-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.88
Rot. Bonds2

About 2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride

2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride (PubChem CID 71755859) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride
PubChem CID71755859
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride
SMILESCC(C)(N)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C11H14N4.ClH/c1-11(2,12)10-8-15(14-13-10)9-6-4-3-5-7-9;/h3-8H,12H2,1-2H3;1H
InChIKeySUSRGULETWZIKC-UHFFFAOYSA-N
XLogP1.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride (CID 71755859) is 2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride is CC(C)(N)c1cn(-c2ccccc2)nn1.Cl.
What is the InChIKey of 2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride?
The InChIKey is SUSRGULETWZIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.ClH/c1-11(2,12)10-8-15(14-13-10)9-6-4-3-5-7-9;/h3-8H,12H2,1-2H3;1H.
What are the key properties of 2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride?
2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 71755859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).