1-(1,2,4-triazol-1-yl)prop-2-en-1-amine

C5H8N4 — CID 70401313

IUPAC1-(1,2,4-triazol-1-yl)prop-2-en-1-amine
SMILESC=CC(N)n1cncn1
InChIInChI=1S/C5H8N4/c1-2-5(6)9-4-7-3-8-9/h2-5H,1,6H2
InChIKeyJVKSMHACIYSRAN-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.08
Rot. Bonds2

About 1-(1,2,4-triazol-1-yl)prop-2-en-1-amine

1-(1,2,4-triazol-1-yl)prop-2-en-1-amine (PubChem CID 70401313) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 1-(1,2,4-triazol-1-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(1,2,4-triazol-1-yl)prop-2-en-1-amine
PubChem CID70401313
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name1-(1,2,4-triazol-1-yl)prop-2-en-1-amine
SMILESC=CC(N)n1cncn1
InChIInChI=1S/C5H8N4/c1-2-5(6)9-4-7-3-8-9/h2-5H,1,6H2
InChIKeyJVKSMHACIYSRAN-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
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-(1,2,4-triazol-1-yl)prop-2-en-1-amine?
The IUPAC name of 1-(1,2,4-triazol-1-yl)prop-2-en-1-amine (CID 70401313) is 1-(1,2,4-triazol-1-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(1,2,4-triazol-1-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(1,2,4-triazol-1-yl)prop-2-en-1-amine is C=CC(N)n1cncn1.
What is the InChIKey of 1-(1,2,4-triazol-1-yl)prop-2-en-1-amine?
The InChIKey is JVKSMHACIYSRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-5(6)9-4-7-3-8-9/h2-5H,1,6H2.
What are the key properties of 1-(1,2,4-triazol-1-yl)prop-2-en-1-amine?
1-(1,2,4-triazol-1-yl)prop-2-en-1-amine has a molecular weight of 124.15 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazol-1-yl)prop-2-en-1-amine is sourced from PubChem (CID 70401313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).