[1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride

C11H15ClN4O — CID 139023294

IUPAC[1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride
SMILESCOc1ccc(C)cc1-n1cc(CN)nn1.Cl
InChIInChI=1S/C11H14N4O.ClH/c1-8-3-4-11(16-2)10(5-8)15-7-9(6-12)13-14-15;/h3-5,7H,6,12H2,1-2H3;1H
InChIKeyYHSUXZMZPZQKTN-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.46
Rot. Bonds3

About [1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride

[1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride (PubChem CID 139023294) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride
PubChem CID139023294
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name[1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride
SMILESCOc1ccc(C)cc1-n1cc(CN)nn1.Cl
InChIInChI=1S/C11H14N4O.ClH/c1-8-3-4-11(16-2)10(5-8)15-7-9(6-12)13-14-15;/h3-5,7H,6,12H2,1-2H3;1H
InChIKeyYHSUXZMZPZQKTN-UHFFFAOYSA-N
XLogP1.46
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 82285789
[1-(4-methyl-2-nitrophenyl)triazol-4-yl]methanamine
CID 62055823
[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 82200722
3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 84695827
[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 82200710
3-(bromomethyl)-1-(2-methoxy-5-methylphenyl)pyrazole
CID 84617523
N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide
CID 13413922
4-(aminomethyl)-1-(2-methoxy-5-methylphenyl)piperidin-4-ol
CID 82297536
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 94940092

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride (CID 139023294) is [1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride is COc1ccc(C)cc1-n1cc(CN)nn1.Cl.
What is the InChIKey of [1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride?
The InChIKey is YHSUXZMZPZQKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O.ClH/c1-8-3-4-11(16-2)10(5-8)15-7-9(6-12)13-14-15;/h3-5,7H,6,12H2,1-2H3;1H.
What are the key properties of [1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride?
[1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 139023294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).