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

C5H8N4 — CID 55287493

IUPACN-prop-2-enyl-1H-1,2,4-triazol-5-amine
SMILESC=CCNc1ncn[nH]1
InChIInChI=1S/C5H8N4/c1-2-3-6-5-7-4-8-9-5/h2,4H,1,3H2,(H2,6,7,8,9)
InChIKeyJOQNZFVKYIAEBK-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.40
Rot. Bonds3

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

N-prop-2-enyl-1H-1,2,4-triazol-5-amine (PubChem CID 55287493) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is N-prop-2-enyl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-prop-2-enyl-1H-1,2,4-triazol-5-amine
PubChem CID55287493
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC NameN-prop-2-enyl-1H-1,2,4-triazol-5-amine
SMILESC=CCNc1ncn[nH]1
InChIInChI=1S/C5H8N4/c1-2-3-6-5-7-4-8-9-5/h2,4H,1,3H2,(H2,6,7,8,9)
InChIKeyJOQNZFVKYIAEBK-UHFFFAOYSA-N
XLogP0.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-prop-2-enyl-1H-1,2,4-triazol-5-amine (CID 55287493) is N-prop-2-enyl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-prop-2-enyl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-prop-2-enyl-1H-1,2,4-triazol-5-amine is C=CCNc1ncn[nH]1.
What is the InChIKey of N-prop-2-enyl-1H-1,2,4-triazol-5-amine?
The InChIKey is JOQNZFVKYIAEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-3-6-5-7-4-8-9-5/h2,4H,1,3H2,(H2,6,7,8,9).
What are the key properties of N-prop-2-enyl-1H-1,2,4-triazol-5-amine?
N-prop-2-enyl-1H-1,2,4-triazol-5-amine has a molecular weight of 124.15 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 55287493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).