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

C11H14N4 — CID 82506426

IUPAC[2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine
SMILESCc1cc(-n2cnnc2)cc(CN)c1C
InChIInChI=1S/C11H14N4/c1-8-3-11(15-6-13-14-7-15)4-10(5-12)9(8)2/h3-4,6-7H,5,12H2,1-2H3
InChIKeyVLPJKHXGWCKKBY-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.34
Rot. Bonds2

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

[2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine (PubChem CID 82506426) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is [2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine
PubChem CID82506426
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name[2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine
SMILESCc1cc(-n2cnnc2)cc(CN)c1C
InChIInChI=1S/C11H14N4/c1-8-3-11(15-6-13-14-7-15)4-10(5-12)9(8)2/h3-4,6-7H,5,12H2,1-2H3
InChIKeyVLPJKHXGWCKKBY-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine?
The IUPAC name of [2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine (CID 82506426) is [2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine is Cc1cc(-n2cnnc2)cc(CN)c1C.
What is the InChIKey of [2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine?
The InChIKey is VLPJKHXGWCKKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-3-11(15-6-13-14-7-15)4-10(5-12)9(8)2/h3-4,6-7H,5,12H2,1-2H3.
What are the key properties of [2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine?
[2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 82506426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).