5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium

C8H10N5O+ — CID 509073

IUPAC5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
SMILESN#[N+]c1nc[nH]c1C(=O)N1CCCC1
InChIInChI=1S/C8H9N5O/c9-12-7-6(10-5-11-7)8(14)13-3-1-2-4-13/h5H,1-4H2/p+1
InChIKeyFOJWIKUQNPKZOJ-UHFFFAOYSA-O
MW192.20 g/mol
LogP1.13
Rot. Bonds1

About 5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium

5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium (PubChem CID 509073) has the molecular formula C8H10N5O+ and a molecular weight of 192.20 g/mol. Its IUPAC name is 5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium.

Molecular Properties

Compound Name5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
PubChem CID509073
Molecular FormulaC8H10N5O+
Molecular Weight192.20 g/mol
Exact Mass192.09
IUPAC Name5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
SMILESN#[N+]c1nc[nH]c1C(=O)N1CCCC1
InChIInChI=1S/C8H9N5O/c9-12-7-6(10-5-11-7)8(14)13-3-1-2-4-13/h5H,1-4H2/p+1
InChIKeyFOJWIKUQNPKZOJ-UHFFFAOYSA-O
XLogP1.13
TPSA77.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 135398634
Hypoxanthine
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Dacarbazine
CID 135398738
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3-Isobutyl-1-methylxanthine
CID 3758
CID 790
CID 790
6H-Purin-6-one, 2-amino-1,9-dihydro-, hydrochloride (1:1)
CID 135436483
5-(3,3-Dimethyl-1-triazenyl)-1H-imidazole-4-carboxamide
CID 2942
1-Methylguanine
CID 70315
1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-
CID 3048504
3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione
CID 86344

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium?
The IUPAC name of 5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium (CID 509073) is 5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium.
What is the SMILES notation for 5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium?
The canonical SMILES for 5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium is N#[N+]c1nc[nH]c1C(=O)N1CCCC1.
What is the InChIKey of 5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium?
The InChIKey is FOJWIKUQNPKZOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N5O/c9-12-7-6(10-5-11-7)8(14)13-3-1-2-4-13/h5H,1-4H2/p+1.
What are the key properties of 5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium?
5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium has a molecular weight of 192.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium is sourced from PubChem (CID 509073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).