6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C6H5ClN4O — CID 135484677

IUPAC6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(Cl)nc21
InChIInChI=1S/C6H5ClN4O/c1-11-4-3(2-8-11)5(12)10-6(7)9-4/h2H,1H3,(H,9,10,12)
InChIKeyZEOTVBXCUMNWLS-UHFFFAOYSA-N
MW184.59 g/mol
LogP0.31
Rot. Bonds

About 6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135484677) has the molecular formula C6H5ClN4O and a molecular weight of 184.59 g/mol. Its IUPAC name is 6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135484677
Molecular FormulaC6H5ClN4O
Molecular Weight184.59 g/mol
Exact Mass184.02
IUPAC Name6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(Cl)nc21
InChIInChI=1S/C6H5ClN4O/c1-11-4-3(2-8-11)5(12)10-6(7)9-4/h2H,1H3,(H,9,10,12)
InChIKeyZEOTVBXCUMNWLS-UHFFFAOYSA-N
XLogP0.31
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxamide
CID 1263609
1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 219764
1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
7-Methyl-7H-pyrazolo(3,4-d)(1,2,3)triazin-4-ol
CID 135495349
5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408778
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
3-Methyl-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 13282219
1-Butyryl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135775438
3-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 17118319

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135484677) is 6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(Cl)nc21.
What is the InChIKey of 6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZEOTVBXCUMNWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O/c1-11-4-3(2-8-11)5(12)10-6(7)9-4/h2H,1H3,(H,9,10,12).
What are the key properties of 6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 184.59 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135484677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).