5-prop-2-enyl-1H-1,2,4-triazol-3-amine

C5H8N4 — CID 66693144

IUPAC5-prop-2-enyl-1H-1,2,4-triazol-3-amine
SMILESC=CCc1nc(N)n[nH]1
InChIInChI=1S/C5H8N4/c1-2-3-4-7-5(6)9-8-4/h2H,1,3H2,(H3,6,7,8,9)
InChIKeyTZDOPUDUQDFULL-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.12
Rot. Bonds2

About 5-prop-2-enyl-1H-1,2,4-triazol-3-amine

5-prop-2-enyl-1H-1,2,4-triazol-3-amine (PubChem CID 66693144) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 5-prop-2-enyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-prop-2-enyl-1H-1,2,4-triazol-3-amine
PubChem CID66693144
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name5-prop-2-enyl-1H-1,2,4-triazol-3-amine
SMILESC=CCc1nc(N)n[nH]1
InChIInChI=1S/C5H8N4/c1-2-3-4-7-5(6)9-8-4/h2H,1,3H2,(H3,6,7,8,9)
InChIKeyTZDOPUDUQDFULL-UHFFFAOYSA-N
XLogP0.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-prop-2-enyl-1H-1,2,4-triazol-3-amine (CID 66693144) is 5-prop-2-enyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-prop-2-enyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-prop-2-enyl-1H-1,2,4-triazol-3-amine is C=CCc1nc(N)n[nH]1.
What is the InChIKey of 5-prop-2-enyl-1H-1,2,4-triazol-3-amine?
The InChIKey is TZDOPUDUQDFULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-3-4-7-5(6)9-8-4/h2H,1,3H2,(H3,6,7,8,9).
What are the key properties of 5-prop-2-enyl-1H-1,2,4-triazol-3-amine?
5-prop-2-enyl-1H-1,2,4-triazol-3-amine has a molecular weight of 124.15 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 66693144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).