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

C11H14N4 — CID 165481060

IUPAC1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine
SMILESCCc1ccccc1Cn1cnc(N)n1
InChIInChI=1S/C11H14N4/c1-2-9-5-3-4-6-10(9)7-15-8-13-11(12)14-15/h3-6,8H,2,7H2,1H3,(H2,12,14)
InChIKeyRVUBMSKPXFZCCK-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.47
Rot. Bonds3

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

1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine (PubChem CID 165481060) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine
PubChem CID165481060
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine
SMILESCCc1ccccc1Cn1cnc(N)n1
InChIInChI=1S/C11H14N4/c1-2-9-5-3-4-6-10(9)7-15-8-13-11(12)14-15/h3-6,8H,2,7H2,1H3,(H2,12,14)
InChIKeyRVUBMSKPXFZCCK-UHFFFAOYSA-N
XLogP1.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine (CID 165481060) is 1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine is CCc1ccccc1Cn1cnc(N)n1.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is RVUBMSKPXFZCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-9-5-3-4-6-10(9)7-15-8-13-11(12)14-15/h3-6,8H,2,7H2,1H3,(H2,12,14).
What are the key properties of 1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine?
1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 202.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 165481060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).