1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one

C13H20N4O — CID 609549

IUPAC1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCn1cnc2c(cnn2CCCC)c1=O
InChIInChI=1S/C13H20N4O/c1-3-5-7-16-10-14-12-11(13(16)18)9-15-17(12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyDBPOVMMHLRXOOY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.19
Rot. Bonds6

About 1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one

1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 609549) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID609549
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCn1cnc2c(cnn2CCCC)c1=O
InChIInChI=1S/C13H20N4O/c1-3-5-7-16-10-14-12-11(13(16)18)9-15-17(12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyDBPOVMMHLRXOOY-UHFFFAOYSA-N
XLogP2.19
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one 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

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
1-Tert-butyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinone
CID 7118692
1-Tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one
CID 7118693
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
6-[(1R)-1-(azetidin-1-yl)ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236306

Frequently Asked Questions

What is the IUPAC name of 1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one (CID 609549) is 1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one is CCCCn1cnc2c(cnn2CCCC)c1=O.
What is the InChIKey of 1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DBPOVMMHLRXOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-5-7-16-10-14-12-11(13(16)18)9-15-17(12)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one?
1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 609549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).