6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

C9H12N6O — CID 70458029

IUPAC6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
SMILESO=c1[nH][nH]c2nc(N3CCNCC3)ncc12
InChIInChI=1S/C9H12N6O/c16-8-6-5-11-9(12-7(6)13-14-8)15-3-1-10-2-4-15/h5,10H,1-4H2,(H2,11,12,13,14,16)
InChIKeyDRWBAZSBNFRVMP-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.94
Rot. Bonds1

About 6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 70458029) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
PubChem CID70458029
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
SMILESO=c1[nH][nH]c2nc(N3CCNCC3)ncc12
InChIInChI=1S/C9H12N6O/c16-8-6-5-11-9(12-7(6)13-14-8)15-3-1-10-2-4-15/h5,10H,1-4H2,(H2,11,12,13,14,16)
InChIKeyDRWBAZSBNFRVMP-UHFFFAOYSA-N
XLogP-0.94
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300
3,6-di(piperazin-1-yl)-1,2,4-triazine
CID 129162608
2-chloro-4-piperazin-1-yl-1,3,5-triazine
CID 54357139
5-ethyl-4-methylsulfanyl-2-piperazin-1-ylpyrimidine
CID 155701510
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
7-methyl-2-piperazin-1-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 14553092
1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride
CID 154810154
5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride
CID 171935098
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
CID 145233053
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
4-(4-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine
CID 103278304

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one (CID 70458029) is 6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one is O=c1[nH][nH]c2nc(N3CCNCC3)ncc12.
What is the InChIKey of 6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is DRWBAZSBNFRVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c16-8-6-5-11-9(12-7(6)13-14-8)15-3-1-10-2-4-15/h5,10H,1-4H2,(H2,11,12,13,14,16).
What are the key properties of 6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one?
6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 220.24 g/mol, XLogP of -0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 70458029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).