6-chloro-2-nitroso-7H-purine

C5H2ClN5O — CID 174878246

IUPAC6-chloro-2-nitroso-7H-purine
SMILESO=Nc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C5H2ClN5O/c6-3-2-4(8-1-7-2)10-5(9-3)11-12/h1H,(H,7,8,9,10)
InChIKeyIEGRVPMTTRWXBE-UHFFFAOYSA-N
MW183.56 g/mol
LogP1.40
Rot. Bonds1

About 6-chloro-2-nitroso-7H-purine

6-chloro-2-nitroso-7H-purine (PubChem CID 174878246) has the molecular formula C5H2ClN5O and a molecular weight of 183.56 g/mol. Its IUPAC name is 6-chloro-2-nitroso-7H-purine.

Molecular Properties

Compound Name6-chloro-2-nitroso-7H-purine
PubChem CID174878246
Molecular FormulaC5H2ClN5O
Molecular Weight183.56 g/mol
Exact Mass182.99
IUPAC Name6-chloro-2-nitroso-7H-purine
SMILESO=Nc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C5H2ClN5O/c6-3-2-4(8-1-7-2)10-5(9-3)11-12/h1H,(H,7,8,9,10)
InChIKeyIEGRVPMTTRWXBE-UHFFFAOYSA-N
XLogP1.40
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.56
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-nitroso-7H-purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-7H-purine
CID 10750289
potassium;2,6-dichloro-7H-purine;hydride
CID 173320369
N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide
CID 19917431
6-chloro-7H-purine
CID 5359277
6-chloro-7H-purine
CID 53349102
N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide
CID 114052583
benzoic acid;2,6-dichloro-7H-purine
CID 155059371
2-chloro-1,7-dihydropurin-6-one
CID 135421792
2-chloro-1,7-dihydropurin-6-one
CID 160598455
6-chloro-2-pentyl-7H-purine
CID 10978232
6-chloro-7H-purine;propan-2-one
CID 87503855
2,6-dichloro-7H-purine;tetrabutylazanium
CID 87468349

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-nitroso-7H-purine?
The IUPAC name of 6-chloro-2-nitroso-7H-purine (CID 174878246) is 6-chloro-2-nitroso-7H-purine.
What is the SMILES notation for 6-chloro-2-nitroso-7H-purine?
The canonical SMILES for 6-chloro-2-nitroso-7H-purine is O=Nc1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of 6-chloro-2-nitroso-7H-purine?
The InChIKey is IEGRVPMTTRWXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN5O/c6-3-2-4(8-1-7-2)10-5(9-3)11-12/h1H,(H,7,8,9,10).
What are the key properties of 6-chloro-2-nitroso-7H-purine?
6-chloro-2-nitroso-7H-purine has a molecular weight of 183.56 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-nitroso-7H-purine is sourced from PubChem (CID 174878246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).