6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione

C6H4IN5O2 — CID 143864919

IUPAC6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione
SMILESNc1nc(=O)c2ncn(I)c2c(=O)[nH]1
InChIInChI=1S/C6H4IN5O2/c7-12-1-9-2-3(12)5(14)11-6(8)10-4(2)13/h1H,(H3,8,10,11,13,14)
InChIKeyCZPKDZMZDNMYAA-UHFFFAOYSA-N
MW305.04 g/mol
LogP-0.74
Rot. Bonds

About 6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione

6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione (PubChem CID 143864919) has the molecular formula C6H4IN5O2 and a molecular weight of 305.04 g/mol. Its IUPAC name is 6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione.

Molecular Properties

Compound Name6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione
PubChem CID143864919
Molecular FormulaC6H4IN5O2
Molecular Weight305.04 g/mol
Exact Mass304.94
IUPAC Name6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione
SMILESNc1nc(=O)c2ncn(I)c2c(=O)[nH]1
InChIInChI=1S/C6H4IN5O2/c7-12-1-9-2-3(12)5(14)11-6(8)10-4(2)13/h1H,(H3,8,10,11,13,14)
InChIKeyCZPKDZMZDNMYAA-UHFFFAOYSA-N
XLogP-0.74
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.04
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-7-hydroxy-1H-purin-6-one;hydrobromide
CID 135666783
(2Z)-2-[(6-amino-4,8-dioxo-7H-imidazo[4,5-e][1,3]diazepin-1-yl)methylidene]-N-(diaminomethylidene)cyclopropane-1-carboxamide
CID 10829175
2-amino-7-propan-2-yl-1H-purin-6-one
CID 135618536
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136596195
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
2-amino-9-(3-aminophenyl)-1H-purin-6-one;hydrochloride
CID 135539668
2-amino-9-[(1S,4S)-4-(2-amino-6-oxo-1H-purin-9-yl)-1,4-dihydroxybutyl]-1H-purin-6-one
CID 136669333
2-amino-9-cyclopentyl-1H-purin-6-one
CID 135408673
2-amino-7-(2-methylprop-2-enoyl)-1H-purin-6-one
CID 139915497
2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one
CID 173024562
2-amino-9-(1-methoxyethyl)-1H-purin-6-one
CID 135996340

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione?
The IUPAC name of 6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione (CID 143864919) is 6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione.
What is the SMILES notation for 6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione?
The canonical SMILES for 6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione is Nc1nc(=O)c2ncn(I)c2c(=O)[nH]1.
What is the InChIKey of 6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione?
The InChIKey is CZPKDZMZDNMYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN5O2/c7-12-1-9-2-3(12)5(14)11-6(8)10-4(2)13/h1H,(H3,8,10,11,13,14).
What are the key properties of 6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione?
6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione has a molecular weight of 305.04 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione is sourced from PubChem (CID 143864919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).