5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine

C11H14N4 — CID 84670790

IUPAC5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine
SMILESCCc1cccc(-c2nc(N)nn2C)c1
InChIInChI=1S/C11H14N4/c1-3-8-5-4-6-9(7-8)10-13-11(12)14-15(10)2/h4-7H,3H2,1-2H3,(H2,12,14)
InChIKeyFKTIKMFBICZHKX-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.63
Rot. Bonds2

About 5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine

5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine (PubChem CID 84670790) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine
PubChem CID84670790
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine
SMILESCCc1cccc(-c2nc(N)nn2C)c1
InChIInChI=1S/C11H14N4/c1-3-8-5-4-6-9(7-8)10-13-11(12)14-15(10)2/h4-7H,3H2,1-2H3,(H2,12,14)
InChIKeyFKTIKMFBICZHKX-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine (CID 84670790) is 5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine is CCc1cccc(-c2nc(N)nn2C)c1.
What is the InChIKey of 5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine?
The InChIKey is FKTIKMFBICZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-3-8-5-4-6-9(7-8)10-13-11(12)14-15(10)2/h4-7H,3H2,1-2H3,(H2,12,14).
What are the key properties of 5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine?
5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine has a molecular weight of 202.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 84670790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).