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

C5H8N4 — CID 68930656

IUPACN-prop-2-enyl-1,2,4-triazol-1-amine
SMILESC=CCNn1cncn1
InChIInChI=1S/C5H8N4/c1-2-3-7-9-5-6-4-8-9/h2,4-5,7H,1,3H2
InChIKeyKCQCWAZBTXHPOX-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.01
Rot. Bonds3

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

N-prop-2-enyl-1,2,4-triazol-1-amine (PubChem CID 68930656) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is N-prop-2-enyl-1,2,4-triazol-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-1,2,4-triazol-1-amine
PubChem CID68930656
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC NameN-prop-2-enyl-1,2,4-triazol-1-amine
SMILESC=CCNn1cncn1
InChIInChI=1S/C5H8N4/c1-2-3-7-9-5-6-4-8-9/h2,4-5,7H,1,3H2
InChIKeyKCQCWAZBTXHPOX-UHFFFAOYSA-N
XLogP0.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.01
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 N-prop-2-enyl-1,2,4-triazol-1-amine?
The IUPAC name of N-prop-2-enyl-1,2,4-triazol-1-amine (CID 68930656) is N-prop-2-enyl-1,2,4-triazol-1-amine.
What is the SMILES notation for N-prop-2-enyl-1,2,4-triazol-1-amine?
The canonical SMILES for N-prop-2-enyl-1,2,4-triazol-1-amine is C=CCNn1cncn1.
What is the InChIKey of N-prop-2-enyl-1,2,4-triazol-1-amine?
The InChIKey is KCQCWAZBTXHPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-3-7-9-5-6-4-8-9/h2,4-5,7H,1,3H2.
What are the key properties of N-prop-2-enyl-1,2,4-triazol-1-amine?
N-prop-2-enyl-1,2,4-triazol-1-amine has a molecular weight of 124.15 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1,2,4-triazol-1-amine is sourced from PubChem (CID 68930656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).