3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine

C8H13N5 — CID 10397373

IUPAC3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine
SMILESC=CCN(CC=C)c1n[nH]c(N)n1
InChIInChI=1S/C8H13N5/c1-3-5-13(6-4-2)8-10-7(9)11-12-8/h3-4H,1-2,5-6H2,(H3,9,10,11,12)
InChIKeyWDIJMXNLSBXDEW-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.57
Rot. Bonds5

About 3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine

3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 10397373) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID10397373
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine
SMILESC=CCN(CC=C)c1n[nH]c(N)n1
InChIInChI=1S/C8H13N5/c1-3-5-13(6-4-2)8-10-7(9)11-12-8/h3-4H,1-2,5-6H2,(H3,9,10,11,12)
InChIKeyWDIJMXNLSBXDEW-UHFFFAOYSA-N
XLogP0.57
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
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-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine (CID 10397373) is 3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine is C=CCN(CC=C)c1n[nH]c(N)n1.
What is the InChIKey of 3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is WDIJMXNLSBXDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-3-5-13(6-4-2)8-10-7(9)11-12-8/h3-4H,1-2,5-6H2,(H3,9,10,11,12).
What are the key properties of 3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine?
3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 179.23 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(prop-2-enyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 10397373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).