5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine

C9H11N5 — CID 169461414

IUPAC5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
SMILESCc1nc(N)ccc1C=CCN=[N+]=[N-]
InChIInChI=1S/C9H11N5/c1-7-8(3-2-6-12-14-11)4-5-9(10)13-7/h2-5H,6H2,1H3,(H2,10,13)
InChIKeyWGEJINFPFFTDQP-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.30
Rot. Bonds3

About 5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine

5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine (PubChem CID 169461414) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
PubChem CID169461414
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
SMILESCc1nc(N)ccc1C=CCN=[N+]=[N-]
InChIInChI=1S/C9H11N5/c1-7-8(3-2-6-12-14-11)4-5-9(10)13-7/h2-5H,6H2,1H3,(H2,10,13)
InChIKeyWGEJINFPFFTDQP-UHFFFAOYSA-N
XLogP2.30
TPSA87.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine?
The IUPAC name of 5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine (CID 169461414) is 5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine is Cc1nc(N)ccc1C=CCN=[N+]=[N-].
What is the InChIKey of 5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine?
The InChIKey is WGEJINFPFFTDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-8(3-2-6-12-14-11)4-5-9(10)13-7/h2-5H,6H2,1H3,(H2,10,13).
What are the key properties of 5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine?
5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine has a molecular weight of 189.22 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine is sourced from PubChem (CID 169461414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).