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

C5H8N4 — CID 86084691

IUPAC2-prop-2-enyl-1,2,4-triazol-3-amine
SMILESC=CCn1ncnc1N
InChIInChI=1S/C5H8N4/c1-2-3-9-5(6)7-4-8-9/h2,4H,1,3H2,(H2,6,7,8)
InChIKeyZDWJHEQTCBXBQD-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.05
Rot. Bonds2

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

2-prop-2-enyl-1,2,4-triazol-3-amine (PubChem CID 86084691) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 2-prop-2-enyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-prop-2-enyl-1,2,4-triazol-3-amine
PubChem CID86084691
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name2-prop-2-enyl-1,2,4-triazol-3-amine
SMILESC=CCn1ncnc1N
InChIInChI=1S/C5H8N4/c1-2-3-9-5(6)7-4-8-9/h2,4H,1,3H2,(H2,6,7,8)
InChIKeyZDWJHEQTCBXBQD-UHFFFAOYSA-N
XLogP0.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.05
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 2-prop-2-enyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-prop-2-enyl-1,2,4-triazol-3-amine (CID 86084691) is 2-prop-2-enyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-prop-2-enyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-prop-2-enyl-1,2,4-triazol-3-amine is C=CCn1ncnc1N.
What is the InChIKey of 2-prop-2-enyl-1,2,4-triazol-3-amine?
The InChIKey is ZDWJHEQTCBXBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-3-9-5(6)7-4-8-9/h2,4H,1,3H2,(H2,6,7,8).
What are the key properties of 2-prop-2-enyl-1,2,4-triazol-3-amine?
2-prop-2-enyl-1,2,4-triazol-3-amine has a molecular weight of 124.15 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 86084691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).