3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine

C10H16N4 — CID 19904749

IUPAC3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine
SMILESC=CCCc1nnc(CCC=C)n1N
InChIInChI=1S/C10H16N4/c1-3-5-7-9-12-13-10(14(9)11)8-6-4-2/h3-4H,1-2,5-8,11H2
InChIKeyUXWXFMNJHCKOIF-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.23
Rot. Bonds6

About 3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine

3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine (PubChem CID 19904749) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine
PubChem CID19904749
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine
SMILESC=CCCc1nnc(CCC=C)n1N
InChIInChI=1S/C10H16N4/c1-3-5-7-9-12-13-10(14(9)11)8-6-4-2/h3-4H,1-2,5-8,11H2
InChIKeyUXWXFMNJHCKOIF-UHFFFAOYSA-N
XLogP1.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.23
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 3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine (CID 19904749) is 3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine is C=CCCc1nnc(CCC=C)n1N.
What is the InChIKey of 3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine?
The InChIKey is UXWXFMNJHCKOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-3-5-7-9-12-13-10(14(9)11)8-6-4-2/h3-4H,1-2,5-8,11H2.
What are the key properties of 3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine?
3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine has a molecular weight of 192.27 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(but-3-enyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 19904749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).