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

C9H11N5 — CID 169461419

IUPAC5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine
SMILESCc1ncc(C=CCN=[N+]=[N-])cc1N
InChIInChI=1S/C9H11N5/c1-7-9(10)5-8(6-12-7)3-2-4-13-14-11/h2-3,5-6H,4,10H2,1H3
InChIKeySXCBIBGBNPABPT-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.30
Rot. Bonds3

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

5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine (PubChem CID 169461419) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine
PubChem CID169461419
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine
SMILESCc1ncc(C=CCN=[N+]=[N-])cc1N
InChIInChI=1S/C9H11N5/c1-7-9(10)5-8(6-12-7)3-2-4-13-14-11/h2-3,5-6H,4,10H2,1H3
InChIKeySXCBIBGBNPABPT-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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Related Compounds

5-(3-azidoprop-1-enyl)-6-methylpyridin-3-amine
CID 169461413
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine
CID 169462186
6-(3-azidoprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine
CID 169461887
5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
CID 169461414
5-(3-azidoprop-1-enyl)pyridin-3-ol
CID 169461299
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine
CID 169461396
4-(3-azidoprop-1-enyl)-2-methoxyaniline
CID 169461847
5-(3-azidoprop-1-enyl)pyrazin-2-amine
CID 169461316
5-(3-azidoprop-1-enyl)-2-fluoropyridine
CID 169461269
methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate
CID 170500531

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine?
The IUPAC name of 5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine (CID 169461419) is 5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine is Cc1ncc(C=CCN=[N+]=[N-])cc1N.
What is the InChIKey of 5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine?
The InChIKey is SXCBIBGBNPABPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-9(10)5-8(6-12-7)3-2-4-13-14-11/h2-3,5-6H,4,10H2,1H3.
What are the key properties of 5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine?
5-(3-azidoprop-1-enyl)-2-methylpyridin-3-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)-2-methylpyridin-3-amine is sourced from PubChem (CID 169461419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).