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

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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).