3-ethenyl-1,2,4-triazol-4-amine

C4H6N4 — CID 145064557

IUPAC3-ethenyl-1,2,4-triazol-4-amine
SMILESC=Cc1nncn1N
InChIInChI=1S/C4H6N4/c1-2-4-7-6-3-8(4)5/h2-3H,1,5H2
InChIKeyJBOVOSNSDINEPC-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.37
Rot. Bonds1

About 3-ethenyl-1,2,4-triazol-4-amine

3-ethenyl-1,2,4-triazol-4-amine (PubChem CID 145064557) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 3-ethenyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-ethenyl-1,2,4-triazol-4-amine
PubChem CID145064557
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name3-ethenyl-1,2,4-triazol-4-amine
SMILESC=Cc1nncn1N
InChIInChI=1S/C4H6N4/c1-2-4-7-6-3-8(4)5/h2-3H,1,5H2
InChIKeyJBOVOSNSDINEPC-UHFFFAOYSA-N
XLogP-0.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-ethenyl-1,2,4-triazol-4-amine (CID 145064557) is 3-ethenyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-ethenyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-ethenyl-1,2,4-triazol-4-amine is C=Cc1nncn1N.
What is the InChIKey of 3-ethenyl-1,2,4-triazol-4-amine?
The InChIKey is JBOVOSNSDINEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c1-2-4-7-6-3-8(4)5/h2-3H,1,5H2.
What are the key properties of 3-ethenyl-1,2,4-triazol-4-amine?
3-ethenyl-1,2,4-triazol-4-amine has a molecular weight of 110.12 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 145064557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).