1-cyclopropylimidazole-2-carbonyl azide

C7H7N5O — CID 91104855

IUPAC1-cyclopropylimidazole-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1nccn1C1CC1
InChIInChI=1S/C7H7N5O/c8-11-10-7(13)6-9-3-4-12(6)5-1-2-5/h3-5H,1-2H2
InChIKeyWFCBLWADBMIVKU-UHFFFAOYSA-N
MW177.17 g/mol
LogP1.67
Rot. Bonds2

About 1-cyclopropylimidazole-2-carbonyl azide

1-cyclopropylimidazole-2-carbonyl azide (PubChem CID 91104855) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 1-cyclopropylimidazole-2-carbonyl azide.

Molecular Properties

Compound Name1-cyclopropylimidazole-2-carbonyl azide
PubChem CID91104855
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name1-cyclopropylimidazole-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1nccn1C1CC1
InChIInChI=1S/C7H7N5O/c8-11-10-7(13)6-9-3-4-12(6)5-1-2-5/h3-5H,1-2H2
InChIKeyWFCBLWADBMIVKU-UHFFFAOYSA-N
XLogP1.67
TPSA83.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
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

1-cycloheptylimidazole-2-carboxylic acid
CID 130609991
1-(thiolan-3-yl)imidazole-2-carboxylic acid
CID 84733611
ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate
CID 150211347
3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 47139182
N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 46695811
N,1-dicyclopropylimidazol-2-amine
CID 106554949
(3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine
CID 106553830
1-cyclopropyl-3-(cyclopropylamino)pyrazin-2-one
CID 62939651
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-cyclopropyl-3-(propylamino)pyrazin-2-one
CID 62938241
4-[2-(2,6-dichlorophenyl)imidazol-1-yl]cyclohexane-1-carboxylic acid
CID 166619085
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-cyclopropylpyrazin-2-one
CID 154580769

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylimidazole-2-carbonyl azide?
The IUPAC name of 1-cyclopropylimidazole-2-carbonyl azide (CID 91104855) is 1-cyclopropylimidazole-2-carbonyl azide.
What is the SMILES notation for 1-cyclopropylimidazole-2-carbonyl azide?
The canonical SMILES for 1-cyclopropylimidazole-2-carbonyl azide is [N-]=[N+]=NC(=O)c1nccn1C1CC1.
What is the InChIKey of 1-cyclopropylimidazole-2-carbonyl azide?
The InChIKey is WFCBLWADBMIVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c8-11-10-7(13)6-9-3-4-12(6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 1-cyclopropylimidazole-2-carbonyl azide?
1-cyclopropylimidazole-2-carbonyl azide has a molecular weight of 177.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylimidazole-2-carbonyl azide is sourced from PubChem (CID 91104855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).