1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride

C10H13ClN4 — CID 71756186

IUPAC1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride
SMILESCC(N)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C10H12N4.ClH/c1-8(11)10-7-14(13-12-10)9-5-3-2-4-6-9;/h2-8H,11H2,1H3;1H
InChIKeyMOWDGWFFMXIISD-UHFFFAOYSA-N
MW224.70 g/mol
LogP1.71
Rot. Bonds2

About 1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride

1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride (PubChem CID 71756186) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is 1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride
PubChem CID71756186
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride
SMILESCC(N)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C10H12N4.ClH/c1-8(11)10-7-14(13-12-10)9-5-3-2-4-6-9;/h2-8H,11H2,1H3;1H
InChIKeyMOWDGWFFMXIISD-UHFFFAOYSA-N
XLogP1.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride (CID 71756186) is 1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride is CC(N)c1cn(-c2ccccc2)nn1.Cl.
What is the InChIKey of 1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride?
The InChIKey is MOWDGWFFMXIISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.ClH/c1-8(11)10-7-14(13-12-10)9-5-3-2-4-6-9;/h2-8H,11H2,1H3;1H.
What are the key properties of 1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride?
1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride has a molecular weight of 224.70 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltriazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71756186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).