6-(3-chloropyridazin-4-yl)-7H-purine

C9H5ClN6 — CID 164905912

IUPAC6-(3-chloropyridazin-4-yl)-7H-purine
SMILESClc1nnccc1-c1ncnc2nc[nH]c12
InChIInChI=1S/C9H5ClN6/c10-8-5(1-2-15-16-8)6-7-9(13-3-11-6)14-4-12-7/h1-4H,(H,11,12,13,14)
InChIKeyLPVTUCVPCVSAIJ-UHFFFAOYSA-N
MW232.63 g/mol
LogP1.46
Rot. Bonds1

About 6-(3-chloropyridazin-4-yl)-7H-purine

6-(3-chloropyridazin-4-yl)-7H-purine (PubChem CID 164905912) has the molecular formula C9H5ClN6 and a molecular weight of 232.63 g/mol. Its IUPAC name is 6-(3-chloropyridazin-4-yl)-7H-purine.

Molecular Properties

Compound Name6-(3-chloropyridazin-4-yl)-7H-purine
PubChem CID164905912
Molecular FormulaC9H5ClN6
Molecular Weight232.63 g/mol
Exact Mass232.03
IUPAC Name6-(3-chloropyridazin-4-yl)-7H-purine
SMILESClc1nnccc1-c1ncnc2nc[nH]c12
InChIInChI=1S/C9H5ClN6/c10-8-5(1-2-15-16-8)6-7-9(13-3-11-6)14-4-12-7/h1-4H,(H,11,12,13,14)
InChIKeyLPVTUCVPCVSAIJ-UHFFFAOYSA-N
XLogP1.46
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.63
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-7H-purine
CID 5359277
6-chloro-7H-purine
CID 53349102
6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine
CID 15527163
6-(2-fluoro-5-methylphenyl)-7H-purine
CID 56859242
6-[4-(trifluoromethyl)phenyl]-7H-purine
CID 154460741
[5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine
CID 96602690
6-chloro-7H-purine;propan-2-one
CID 87503855
6-(1,3-benzodioxol-5-yl)-7H-purine
CID 119064876
3-(7H-purin-6-yl)aniline
CID 71426821
4-chloro-5H-imidazo[4,5-c]pyridazine
CID 6399288
1-N-methyl-3-N-[3-(7H-purin-6-yl)-2-pyridinyl]benzene-1,3-diamine
CID 130321893
6-(pyridazin-3-ylmethylsulfanyl)-7H-purine
CID 171816697

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloropyridazin-4-yl)-7H-purine?
The IUPAC name of 6-(3-chloropyridazin-4-yl)-7H-purine (CID 164905912) is 6-(3-chloropyridazin-4-yl)-7H-purine.
What is the SMILES notation for 6-(3-chloropyridazin-4-yl)-7H-purine?
The canonical SMILES for 6-(3-chloropyridazin-4-yl)-7H-purine is Clc1nnccc1-c1ncnc2nc[nH]c12.
What is the InChIKey of 6-(3-chloropyridazin-4-yl)-7H-purine?
The InChIKey is LPVTUCVPCVSAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN6/c10-8-5(1-2-15-16-8)6-7-9(13-3-11-6)14-4-12-7/h1-4H,(H,11,12,13,14).
What are the key properties of 6-(3-chloropyridazin-4-yl)-7H-purine?
6-(3-chloropyridazin-4-yl)-7H-purine has a molecular weight of 232.63 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloropyridazin-4-yl)-7H-purine is sourced from PubChem (CID 164905912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).