3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine

C7H7ClN6 — CID 169461550

IUPAC3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine
SMILES[N-]=[N+]=NCC=Cc1ncc(Cl)nc1N
InChIInChI=1S/C7H7ClN6/c8-6-4-11-5(7(9)13-6)2-1-3-12-14-10/h1-2,4H,3H2,(H2,9,13)
InChIKeyLBEOVXUCHIZPDJ-UHFFFAOYSA-N
MW210.63 g/mol
LogP2.04
Rot. Bonds3

About 3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine

3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine (PubChem CID 169461550) has the molecular formula C7H7ClN6 and a molecular weight of 210.63 g/mol. Its IUPAC name is 3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine.

Molecular Properties

Compound Name3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine
PubChem CID169461550
Molecular FormulaC7H7ClN6
Molecular Weight210.63 g/mol
Exact Mass210.04
IUPAC Name3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine
SMILES[N-]=[N+]=NCC=Cc1ncc(Cl)nc1N
InChIInChI=1S/C7H7ClN6/c8-6-4-11-5(7(9)13-6)2-1-3-12-14-10/h1-2,4H,3H2,(H2,9,13)
InChIKeyLBEOVXUCHIZPDJ-UHFFFAOYSA-N
XLogP2.04
TPSA100.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine?
The IUPAC name of 3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine (CID 169461550) is 3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine.
What is the SMILES notation for 3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine?
The canonical SMILES for 3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine is [N-]=[N+]=NCC=Cc1ncc(Cl)nc1N.
What is the InChIKey of 3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine?
The InChIKey is LBEOVXUCHIZPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6/c8-6-4-11-5(7(9)13-6)2-1-3-12-14-10/h1-2,4H,3H2,(H2,9,13).
What are the key properties of 3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine?
3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine has a molecular weight of 210.63 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine is sourced from PubChem (CID 169461550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).