3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine

C7H7ClN6 — CID 169461551

IUPAC3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine
SMILES[N-]=[N+]=NCC=Cc1nc(Cl)cnc1N
InChIInChI=1S/C7H7ClN6/c8-6-4-11-7(9)5(13-6)2-1-3-12-14-10/h1-2,4H,3H2,(H2,9,11)
InChIKeyYJQSFUTWFOKJKS-UHFFFAOYSA-N
MW210.63 g/mol
LogP2.04
Rot. Bonds3

About 3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine

3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine (PubChem CID 169461551) has the molecular formula C7H7ClN6 and a molecular weight of 210.63 g/mol. Its IUPAC name is 3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine.

Molecular Properties

Compound Name3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine
PubChem CID169461551
Molecular FormulaC7H7ClN6
Molecular Weight210.63 g/mol
Exact Mass210.04
IUPAC Name3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine
SMILES[N-]=[N+]=NCC=Cc1nc(Cl)cnc1N
InChIInChI=1S/C7H7ClN6/c8-6-4-11-7(9)5(13-6)2-1-3-12-14-10/h1-2,4H,3H2,(H2,9,11)
InChIKeyYJQSFUTWFOKJKS-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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Related Compounds

3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine
CID 169461550
5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine
CID 170498933
2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol
CID 169462758
5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine
CID 169461396
5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine
CID 169461419
5-(3-azidoprop-1-enyl)pyrazin-2-amine
CID 169461316
5-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 169462392
4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine
CID 169462754
5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine
CID 169462186
3-(3-azidoprop-1-enyl)-5-nitropyridin-2-amine
CID 169462185
5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine
CID 169461709
5-(3-azidoprop-1-enyl)-6-methylpyridin-3-amine
CID 169461413

Frequently Asked Questions

What is the IUPAC name of 3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine?
The IUPAC name of 3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine (CID 169461551) is 3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine.
What is the SMILES notation for 3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine?
The canonical SMILES for 3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine is [N-]=[N+]=NCC=Cc1nc(Cl)cnc1N.
What is the InChIKey of 3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine?
The InChIKey is YJQSFUTWFOKJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6/c8-6-4-11-7(9)5(13-6)2-1-3-12-14-10/h1-2,4H,3H2,(H2,9,11).
What are the key properties of 3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine?
3-(3-azidoprop-1-enyl)-5-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)-5-chloropyrazin-2-amine is sourced from PubChem (CID 169461551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).