2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one

C9H12N4O — CID 14188901

IUPAC2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCCn1cc2c(=O)n(CC)cnc2n1
InChIInChI=1S/C9H12N4O/c1-3-12-6-10-8-7(9(12)14)5-13(4-2)11-8/h5-6H,3-4H2,1-2H3
InChIKeyYUYYMEZRRGHOEO-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.63
Rot. Bonds2

About 2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one

2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 14188901) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one
PubChem CID14188901
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCCn1cc2c(=O)n(CC)cnc2n1
InChIInChI=1S/C9H12N4O/c1-3-12-6-10-8-7(9(12)14)5-13(4-2)11-8/h5-6H,3-4H2,1-2H3
InChIKeyYUYYMEZRRGHOEO-UHFFFAOYSA-N
XLogP0.63
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 1-methyl-
CID 609734
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-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
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
2-decyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135869414

Frequently Asked Questions

What is the IUPAC name of 2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one (CID 14188901) is 2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one is CCn1cc2c(=O)n(CC)cnc2n1.
What is the InChIKey of 2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is YUYYMEZRRGHOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-12-6-10-8-7(9(12)14)5-13(4-2)11-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one?
2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 192.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethylpyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 14188901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).