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

C10H12N4 — CID 82504473

IUPAC[3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine
SMILESCc1cccc(CN)c1-n1cnnc1
InChIInChI=1S/C10H12N4/c1-8-3-2-4-9(5-11)10(8)14-6-12-13-7-14/h2-4,6-7H,5,11H2,1H3
InChIKeyWTWIBRPTMNUTMV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.03
Rot. Bonds2

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

[3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine (PubChem CID 82504473) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is [3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine
PubChem CID82504473
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name[3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine
SMILESCc1cccc(CN)c1-n1cnnc1
InChIInChI=1S/C10H12N4/c1-8-3-2-4-9(5-11)10(8)14-6-12-13-7-14/h2-4,6-7H,5,11H2,1H3
InChIKeyWTWIBRPTMNUTMV-UHFFFAOYSA-N
XLogP1.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine?
The IUPAC name of [3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine (CID 82504473) is [3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine?
The canonical SMILES for [3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine is Cc1cccc(CN)c1-n1cnnc1.
What is the InChIKey of [3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine?
The InChIKey is WTWIBRPTMNUTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8-3-2-4-9(5-11)10(8)14-6-12-13-7-14/h2-4,6-7H,5,11H2,1H3.
What are the key properties of [3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine?
[3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine has a molecular weight of 188.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 82504473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).