(7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one

C5H4N4O — CID 97056718

IUPAC(7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESO=C1N=CN=C2C=NN[C@H]12
InChIInChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2,4,9H/t4-/m0/s1
InChIKeyIHNHZSOVYAOSSK-BYPYZUCNSA-N
MW136.11 g/mol
LogP-1.05
Rot. Bonds

About (7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one

(7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 97056718) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is (7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID97056718
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name(7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESO=C1N=CN=C2C=NN[C@H]12
InChIInChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2,4,9H/t4-/m0/s1
InChIKeyIHNHZSOVYAOSSK-BYPYZUCNSA-N
XLogP-1.05
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-4aH-quinazolin-4-one
CID 71304026
7-(trifluoromethyl)-4aH-quinazolin-4-one
CID 72733956
ethyl 4-oxo-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylate
CID 156593567
3H-azet-2-one
CID 12853312
2-bromo-2H-pyrazin-3-one
CID 69216351
4-amino-3-sulfanyl-2,3-dihydro-1,2,4-triazin-5-one
CID 88749957
3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one
CID 78166552
spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one
CID 156621200
2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one
CID 167570492
(5S)-5-bromo-1H-pyrimidine-4,6-dione
CID 86310273
(5R)-5-amino-1H-pyrimidine-4,6-dione
CID 98071290
7-ethyl-5H-purin-6-one
CID 78171222

Frequently Asked Questions

What is the IUPAC name of (7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of (7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 97056718) is (7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for (7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for (7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one is O=C1N=CN=C2C=NN[C@H]12.
What is the InChIKey of (7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is IHNHZSOVYAOSSK-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2,4,9H/t4-/m0/s1.
What are the key properties of (7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one?
(7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 136.11 g/mol, XLogP of -1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 97056718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).