[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine

C11H14N4 — CID 62696261

IUPAC[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine
SMILESCc1nc(-c2ccc(CN)cc2)n(C)n1
InChIInChI=1S/C11H14N4/c1-8-13-11(15(2)14-8)10-5-3-9(7-12)4-6-10/h3-6H,7,12H2,1-2H3
InChIKeyLLPCNUUENPHFNJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.25
Rot. Bonds2

About [4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine

[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine (PubChem CID 62696261) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is [4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine
PubChem CID62696261
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine
SMILESCc1nc(-c2ccc(CN)cc2)n(C)n1
InChIInChI=1S/C11H14N4/c1-8-13-11(15(2)14-8)10-5-3-9(7-12)4-6-10/h3-6H,7,12H2,1-2H3
InChIKeyLLPCNUUENPHFNJ-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine?
The IUPAC name of [4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine (CID 62696261) is [4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine is Cc1nc(-c2ccc(CN)cc2)n(C)n1.
What is the InChIKey of [4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine?
The InChIKey is LLPCNUUENPHFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-13-11(15(2)14-8)10-5-3-9(7-12)4-6-10/h3-6H,7,12H2,1-2H3.
What are the key properties of [4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine?
[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 62696261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).