5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine

C12H16N4 — CID 62677338

IUPAC5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
SMILESCCc1nc(N)n(Cc2ccc(C)cc2)n1
InChIInChI=1S/C12H16N4/c1-3-11-14-12(13)16(15-11)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,13,14,15)
InChIKeyYULKOIXSMGEBCW-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.78
Rot. Bonds3

About 5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine

5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine (PubChem CID 62677338) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
PubChem CID62677338
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
SMILESCCc1nc(N)n(Cc2ccc(C)cc2)n1
InChIInChI=1S/C12H16N4/c1-3-11-14-12(13)16(15-11)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,13,14,15)
InChIKeyYULKOIXSMGEBCW-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine (CID 62677338) is 5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine is CCc1nc(N)n(Cc2ccc(C)cc2)n1.
What is the InChIKey of 5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is YULKOIXSMGEBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-11-14-12(13)16(15-11)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine?
5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 216.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 62677338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).