4-(3-azidoprop-1-enyl)benzene-1,2-diamine

C9H11N5 — CID 169461436

IUPAC4-(3-azidoprop-1-enyl)benzene-1,2-diamine
SMILES[N-]=[N+]=NCC=Cc1ccc(N)c(N)c1
InChIInChI=1S/C9H11N5/c10-8-4-3-7(6-9(8)11)2-1-5-13-14-12/h1-4,6H,5,10-11H2
InChIKeyKAOZECFYKQVKRY-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.17
Rot. Bonds3

About 4-(3-azidoprop-1-enyl)benzene-1,2-diamine

4-(3-azidoprop-1-enyl)benzene-1,2-diamine (PubChem CID 169461436) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)benzene-1,2-diamine
PubChem CID169461436
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name4-(3-azidoprop-1-enyl)benzene-1,2-diamine
SMILES[N-]=[N+]=NCC=Cc1ccc(N)c(N)c1
InChIInChI=1S/C9H11N5/c10-8-4-3-7(6-9(8)11)2-1-5-13-14-12/h1-4,6H,5,10-11H2
InChIKeyKAOZECFYKQVKRY-UHFFFAOYSA-N
XLogP2.17
TPSA100.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

4-(3-azidoprop-1-enyl)-2-methoxyaniline
CID 169461847
4-[4-(3-azidoprop-1-enyl)phenoxy]aniline
CID 169462676
5-(3-azidoprop-1-enyl)-2-(trifluoromethoxy)aniline
CID 169462590
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine
CID 169461419
5-(3-azidoprop-1-enyl)isoindole-1,3-dione
CID 169462453
4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene
CID 169461583
4-(4-azidobut-1-enyl)-2-fluoroaniline
CID 170484952
3-(3-azidoprop-1-enyl)-4-fluoroaniline
CID 169461451
4-amino-2-(3-azidoprop-1-enyl)phenol
CID 169461517
5-(3-azidoprop-1-enyl)-1-benzofuran
CID 169461862

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)benzene-1,2-diamine?
The IUPAC name of 4-(3-azidoprop-1-enyl)benzene-1,2-diamine (CID 169461436) is 4-(3-azidoprop-1-enyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)benzene-1,2-diamine?
The canonical SMILES for 4-(3-azidoprop-1-enyl)benzene-1,2-diamine is [N-]=[N+]=NCC=Cc1ccc(N)c(N)c1.
What is the InChIKey of 4-(3-azidoprop-1-enyl)benzene-1,2-diamine?
The InChIKey is KAOZECFYKQVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-8-4-3-7(6-9(8)11)2-1-5-13-14-12/h1-4,6H,5,10-11H2.
What are the key properties of 4-(3-azidoprop-1-enyl)benzene-1,2-diamine?
4-(3-azidoprop-1-enyl)benzene-1,2-diamine has a molecular weight of 189.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)benzene-1,2-diamine is sourced from PubChem (CID 169461436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).