[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine

C12H16N4 — CID 112593445

IUPAC[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1-c1cccc(C)c1
InChIInChI=1S/C12H16N4/c1-3-16-11(8-13)14-15-12(16)10-6-4-5-9(2)7-10/h4-7H,3,8,13H2,1-2H3
InChIKeyGPHLDOWQYSZTFV-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.73
Rot. Bonds3

About [4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine

[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593445) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is [4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID112593445
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1-c1cccc(C)c1
InChIInChI=1S/C12H16N4/c1-3-16-11(8-13)14-15-12(16)10-6-4-5-9(2)7-10/h4-7H,3,8,13H2,1-2H3
InChIKeyGPHLDOWQYSZTFV-UHFFFAOYSA-N
XLogP1.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine (CID 112593445) is [4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine is CCn1c(CN)nnc1-c1cccc(C)c1.
What is the InChIKey of [4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is GPHLDOWQYSZTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-16-11(8-13)14-15-12(16)10-6-4-5-9(2)7-10/h4-7H,3,8,13H2,1-2H3.
What are the key properties of [4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).