1-[(2,5-dimethylphenyl)methyl]triazol-4-amine

C11H14N4 — CID 79529269

IUPAC1-[(2,5-dimethylphenyl)methyl]triazol-4-amine
SMILESCc1ccc(C)c(Cn2cc(N)nn2)c1
InChIInChI=1S/C11H14N4/c1-8-3-4-9(2)10(5-8)6-15-7-11(12)13-14-15/h3-5,7H,6,12H2,1-2H3
InChIKeyXZOXAXMQOBYJCO-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.53
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]triazol-4-amine

1-[(2,5-dimethylphenyl)methyl]triazol-4-amine (PubChem CID 79529269) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]triazol-4-amine
PubChem CID79529269
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-[(2,5-dimethylphenyl)methyl]triazol-4-amine
SMILESCc1ccc(C)c(Cn2cc(N)nn2)c1
InChIInChI=1S/C11H14N4/c1-8-3-4-9(2)10(5-8)6-15-7-11(12)13-14-15/h3-5,7H,6,12H2,1-2H3
InChIKeyXZOXAXMQOBYJCO-UHFFFAOYSA-N
XLogP1.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,5-dimethylphenyl)methyl]triazol-4-amine 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

N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine
CID 76683978
1-benzyl-1H-1,2,3-triazol-4-amine
CID 56766768
1-benzyl-1H-1,2,3-triazol-5-amine
CID 23361771
1-benzyl-N-methyl-1H-1,2,3-triazol-4-amine
CID 57173216
1-benzyl-1H-1,2,3-triazol-4-amine hydrochloride
CID 75467587
1-(4-fluorobenzyl)-1H-1,2,3-triazol-5-amine
CID 45490115
1-[(2,5-difluorophenyl)methyl]-N-methyltriazol-4-amine
CID 53722682
1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-triazol-4-amine
CID 53880714
1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine
CID 54446474
1-[(2-fluorophenyl)methyl]-N-methyltriazol-4-amine
CID 54468986
1-[(2-fluorophenyl)methyl]-N,N-dimethyltriazol-4-amine
CID 54500581
N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine
CID 57159417

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]triazol-4-amine?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]triazol-4-amine (CID 79529269) is 1-[(2,5-dimethylphenyl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]triazol-4-amine is Cc1ccc(C)c(Cn2cc(N)nn2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]triazol-4-amine?
The InChIKey is XZOXAXMQOBYJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-3-4-9(2)10(5-8)6-15-7-11(12)13-14-15/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]triazol-4-amine?
1-[(2,5-dimethylphenyl)methyl]triazol-4-amine has a molecular weight of 202.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]triazol-4-amine is sourced from PubChem (CID 79529269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).