ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C10H18N4O — CID 142422164

IUPACethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCC.CC.Cn1ncc2nc[nH]c(=O)c21
InChIInChI=1S/C6H6N4O.2C2H6/c1-10-5-4(2-9-10)7-3-8-6(5)11;2*1-2/h2-3H,1H3,(H,7,8,11);2*1-2H3
InChIKeyDWFLICVKPCHIDV-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.71
Rot. Bonds

About ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 142422164) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Nameethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID142422164
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Nameethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCC.CC.Cn1ncc2nc[nH]c(=O)c21
InChIInChI=1S/C6H6N4O.2C2H6/c1-10-5-4(2-9-10)7-3-8-6(5)11;2*1-2/h2-3H,1H3,(H,7,8,11);2*1-2H3
InChIKeyDWFLICVKPCHIDV-UHFFFAOYSA-N
XLogP1.71
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane
CID 142357915
1-(4-methoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 152747075
5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135741785
ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate
CID 136597750
methyl 4-[2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)ethoxy]benzoate
CID 151234702
ethane;iodomethane;3H-quinazolin-4-one
CID 136650915
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
2-chloro-N-(cyclopropylmethyl)-N-[(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide
CID 141493095
4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-bromo-1H-pyrimidin-6-one
CID 136989444
5-methyl-7-nitro-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 165130537
7-iodo-1H-purin-6-one
CID 175230449
1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135876286

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 142422164) is ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CC.CC.Cn1ncc2nc[nH]c(=O)c21.
What is the InChIKey of ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is DWFLICVKPCHIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O.2C2H6/c1-10-5-4(2-9-10)7-3-8-6(5)11;2*1-2/h2-3H,1H3,(H,7,8,11);2*1-2H3.
What are the key properties of ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 210.28 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 142422164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).