1-but-3-enyl-1,2,4-triazol-3-amine

C6H10N4 — CID 130847972

IUPAC1-but-3-enyl-1,2,4-triazol-3-amine
SMILESC=CCCn1cnc(N)n1
InChIInChI=1S/C6H10N4/c1-2-3-4-10-5-8-6(7)9-10/h2,5H,1,3-4H2,(H2,7,9)
InChIKeyPVDQUVLLLWYNCR-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.44
Rot. Bonds3

About 1-but-3-enyl-1,2,4-triazol-3-amine

1-but-3-enyl-1,2,4-triazol-3-amine (PubChem CID 130847972) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-but-3-enyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-but-3-enyl-1,2,4-triazol-3-amine
PubChem CID130847972
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-but-3-enyl-1,2,4-triazol-3-amine
SMILESC=CCCn1cnc(N)n1
InChIInChI=1S/C6H10N4/c1-2-3-4-10-5-8-6(7)9-10/h2,5H,1,3-4H2,(H2,7,9)
InChIKeyPVDQUVLLLWYNCR-UHFFFAOYSA-N
XLogP0.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-but-3-enyl-1,2,4-triazol-3-amine (CID 130847972) is 1-but-3-enyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-but-3-enyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-but-3-enyl-1,2,4-triazol-3-amine is C=CCCn1cnc(N)n1.
What is the InChIKey of 1-but-3-enyl-1,2,4-triazol-3-amine?
The InChIKey is PVDQUVLLLWYNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-3-4-10-5-8-6(7)9-10/h2,5H,1,3-4H2,(H2,7,9).
What are the key properties of 1-but-3-enyl-1,2,4-triazol-3-amine?
1-but-3-enyl-1,2,4-triazol-3-amine has a molecular weight of 138.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 130847972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).