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

C10H12N4 — CID 62267365

IUPACN-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine
SMILESCNCc1ccccc1-n1cnnc1
InChIInChI=1S/C10H12N4/c1-11-6-9-4-2-3-5-10(9)14-7-12-13-8-14/h2-5,7-8,11H,6H2,1H3
InChIKeyUZSJQTZIVARBCW-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.99
Rot. Bonds3

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

N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine (PubChem CID 62267365) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine
PubChem CID62267365
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine
SMILESCNCc1ccccc1-n1cnnc1
InChIInChI=1S/C10H12N4/c1-11-6-9-4-2-3-5-10(9)14-7-12-13-8-14/h2-5,7-8,11H,6H2,1H3
InChIKeyUZSJQTZIVARBCW-UHFFFAOYSA-N
XLogP0.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine (CID 62267365) is N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine is CNCc1ccccc1-n1cnnc1.
What is the InChIKey of N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine?
The InChIKey is UZSJQTZIVARBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-11-6-9-4-2-3-5-10(9)14-7-12-13-8-14/h2-5,7-8,11H,6H2,1H3.
What are the key properties of N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine?
N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine has a molecular weight of 188.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 62267365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).