1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride

C11H15ClN4 — CID 138006951

IUPAC1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride
SMILESCc1nn(-c2ccccc2)nc1C(C)N.Cl
InChIInChI=1S/C11H14N4.ClH/c1-8(12)11-9(2)13-15(14-11)10-6-4-3-5-7-10;/h3-8H,12H2,1-2H3;1H
InChIKeyFRDOWORXLKRLES-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.02
Rot. Bonds2

About 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride

1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride (PubChem CID 138006951) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride
PubChem CID138006951
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride
SMILESCc1nn(-c2ccccc2)nc1C(C)N.Cl
InChIInChI=1S/C11H14N4.ClH/c1-8(12)11-9(2)13-15(14-11)10-6-4-3-5-7-10;/h3-8H,12H2,1-2H3;1H
InChIKeyFRDOWORXLKRLES-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl]methanesulfonamide
CID 2738927
N-butylbenzotriazol-1-amine
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(E)-3,5-dimethyl-4-(phenyldiazenyl)-1H-pyrazole
CID 199053
(2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 599268
4-Methyl-2-phenyl-2h-1,2,3-triazole
CID 12686648
(5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 2776450
4-(Chloromethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole
CID 338434
4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole
CID 338710
methyl((2-phenyl-2H-1,2,3-triazol-4-yl)methyl)amine hydrochloride
CID 54594671
2-(2H-1,2,3-triazol-2-yl)aniline hydrochloride
CID 126796933
(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 133054194
5-methyl-2-phenyl-2H-1,2,3-triazol-4-amine hydrochloride
CID 137971716

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride (CID 138006951) is 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride is Cc1nn(-c2ccccc2)nc1C(C)N.Cl.
What is the InChIKey of 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride?
The InChIKey is FRDOWORXLKRLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.ClH/c1-8(12)11-9(2)13-15(14-11)10-6-4-3-5-7-10;/h3-8H,12H2,1-2H3;1H.
What are the key properties of 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride?
1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenyltriazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 138006951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).