5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine

C10H12N4 — CID 172619623

IUPAC5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine
SMILESCNc1n[nH]c(Cc2ccccc2)n1
InChIInChI=1S/C10H12N4/c1-11-10-12-9(13-14-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13,14)
InChIKeyJZBZAYVZLHIXBY-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.44
Rot. Bonds3

About 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine

5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine (PubChem CID 172619623) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine
PubChem CID172619623
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine
SMILESCNc1n[nH]c(Cc2ccccc2)n1
InChIInChI=1S/C10H12N4/c1-11-10-12-9(13-14-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13,14)
InChIKeyJZBZAYVZLHIXBY-UHFFFAOYSA-N
XLogP1.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine (CID 172619623) is 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine is CNc1n[nH]c(Cc2ccccc2)n1.
What is the InChIKey of 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine?
The InChIKey is JZBZAYVZLHIXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-11-10-12-9(13-14-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine?
5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine has a molecular weight of 188.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 172619623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).