N-(3-azidopropyl)-1H-imidazol-2-amine

C6H10N6 — CID 89395951

IUPACN-(3-azidopropyl)-1H-imidazol-2-amine
SMILES[N-]=[N+]=NCCCNc1ncc[nH]1
InChIInChI=1S/C6H10N6/c7-12-11-3-1-2-8-6-9-4-5-10-6/h4-5H,1-3H2,(H2,8,9,10)
InChIKeyIAQMDPCAGJBEIO-UHFFFAOYSA-N
MW166.19 g/mol
LogP1.52
Rot. Bonds5

About N-(3-azidopropyl)-1H-imidazol-2-amine

N-(3-azidopropyl)-1H-imidazol-2-amine (PubChem CID 89395951) has the molecular formula C6H10N6 and a molecular weight of 166.19 g/mol. Its IUPAC name is N-(3-azidopropyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3-azidopropyl)-1H-imidazol-2-amine
PubChem CID89395951
Molecular FormulaC6H10N6
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC NameN-(3-azidopropyl)-1H-imidazol-2-amine
SMILES[N-]=[N+]=NCCCNc1ncc[nH]1
InChIInChI=1S/C6H10N6/c7-12-11-3-1-2-8-6-9-4-5-10-6/h4-5H,1-3H2,(H2,8,9,10)
InChIKeyIAQMDPCAGJBEIO-UHFFFAOYSA-N
XLogP1.52
TPSA89.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Imidazole
CID 795
2-Methylimidazole
CID 12749
2-Ethylimidazole
CID 66130
1H-Imidazole-1-propanamine
CID 78736
2-Aminoimidazole
CID 82140
Imidazolium chloride
CID 10197644
2-Bromo-1H-imidazole
CID 2773261
1H-Imidazole, 2-(1-methylethyl)-
CID 123457
2-chloro-1H-imidazole
CID 2773328
2-Propylimidazole
CID 162617
4-Aminoimidazole
CID 484
2-iodo-1H-imidazole
CID 2773468

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-1H-imidazol-2-amine?
The IUPAC name of N-(3-azidopropyl)-1H-imidazol-2-amine (CID 89395951) is N-(3-azidopropyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(3-azidopropyl)-1H-imidazol-2-amine?
The canonical SMILES for N-(3-azidopropyl)-1H-imidazol-2-amine is [N-]=[N+]=NCCCNc1ncc[nH]1.
What is the InChIKey of N-(3-azidopropyl)-1H-imidazol-2-amine?
The InChIKey is IAQMDPCAGJBEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6/c7-12-11-3-1-2-8-6-9-4-5-10-6/h4-5H,1-3H2,(H2,8,9,10).
What are the key properties of N-(3-azidopropyl)-1H-imidazol-2-amine?
N-(3-azidopropyl)-1H-imidazol-2-amine has a molecular weight of 166.19 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-1H-imidazol-2-amine is sourced from PubChem (CID 89395951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).