1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C9H10N4O2 — CID 135775438

IUPAC1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCC(=O)n1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C9H10N4O2/c1-2-3-7(14)13-8-6(4-12-13)9(15)11-5-10-8/h4-5H,2-3H2,1H3,(H,10,11,15)
InChIKeyABLLZVRKYUXMHV-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.56
Rot. Bonds2

About 1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135775438) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135775438
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCC(=O)n1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C9H10N4O2/c1-2-3-7(14)13-8-6(4-12-13)9(15)11-5-10-8/h4-5H,2-3H2,1H3,(H,10,11,15)
InChIKeyABLLZVRKYUXMHV-UHFFFAOYSA-N
XLogP0.56
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N,N-dimethylpropanamide
CID 155523485
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide
CID 155548362
(2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide
CID 155559756
3-Methyl-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 13282219
4,9-Dimethyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,6-diene-3,5-dione
CID 135426858
2-decyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135869414

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135775438) is 1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCC(=O)n1ncc2c(=O)[nH]cnc21.
What is the InChIKey of 1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ABLLZVRKYUXMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-3-7(14)13-8-6(4-12-13)9(15)11-5-10-8/h4-5H,2-3H2,1H3,(H,10,11,15).
What are the key properties of 1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 206.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135775438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).