6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C5H3ClN4O — CID 135408757

IUPAC6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2[nH]ncc12
InChIInChI=1S/C5H3ClN4O/c6-5-8-3-2(1-7-10-3)4(11)9-5/h1H,(H2,7,8,9,10,11)
InChIKeyIHMWOTGINGMVHR-UHFFFAOYSA-N
MW170.56 g/mol
LogP0.30
Rot. Bonds

About 6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135408757) has the molecular formula C5H3ClN4O and a molecular weight of 170.56 g/mol. Its IUPAC name is 6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135408757
Molecular FormulaC5H3ClN4O
Molecular Weight170.56 g/mol
Exact Mass170.00
IUPAC Name6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2[nH]ncc12
InChIInChI=1S/C5H3ClN4O/c6-5-8-3-2(1-7-10-3)4(11)9-5/h1H,(H2,7,8,9,10,11)
InChIKeyIHMWOTGINGMVHR-UHFFFAOYSA-N
XLogP0.30
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.56
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135408757) is 6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(Cl)nc2[nH]ncc12.
What is the InChIKey of 6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IHMWOTGINGMVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4O/c6-5-8-3-2(1-7-10-3)4(11)9-5/h1H,(H2,7,8,9,10,11).
What are the key properties of 6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 170.56 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135408757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).