1,6-dihydropyrazolo[4,3-g]quinazolin-5-one

C9H6N4O — CID 135471989

IUPAC1,6-dihydropyrazolo[4,3-g]quinazolin-5-one
SMILESO=c1[nH]cnc2cc3[nH]ncc3cc12
InChIInChI=1S/C9H6N4O/c14-9-6-1-5-3-12-13-7(5)2-8(6)10-4-11-9/h1-4H,(H,12,13)(H,10,11,14)
InChIKeyQNCOUBPRJGAMNN-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.80
Rot. Bonds

About 1,6-dihydropyrazolo[4,3-g]quinazolin-5-one

1,6-dihydropyrazolo[4,3-g]quinazolin-5-one (PubChem CID 135471989) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 1,6-dihydropyrazolo[4,3-g]quinazolin-5-one.

Molecular Properties

Compound Name1,6-dihydropyrazolo[4,3-g]quinazolin-5-one
PubChem CID135471989
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name1,6-dihydropyrazolo[4,3-g]quinazolin-5-one
SMILESO=c1[nH]cnc2cc3[nH]ncc3cc12
InChIInChI=1S/C9H6N4O/c14-9-6-1-5-3-12-13-7(5)2-8(6)10-4-11-9/h1-4H,(H,12,13)(H,10,11,14)
InChIKeyQNCOUBPRJGAMNN-UHFFFAOYSA-N
XLogP0.80
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydropyrazolo[4,3-g]quinazolin-5-one?
The IUPAC name of 1,6-dihydropyrazolo[4,3-g]quinazolin-5-one (CID 135471989) is 1,6-dihydropyrazolo[4,3-g]quinazolin-5-one.
What is the SMILES notation for 1,6-dihydropyrazolo[4,3-g]quinazolin-5-one?
The canonical SMILES for 1,6-dihydropyrazolo[4,3-g]quinazolin-5-one is O=c1[nH]cnc2cc3[nH]ncc3cc12.
What is the InChIKey of 1,6-dihydropyrazolo[4,3-g]quinazolin-5-one?
The InChIKey is QNCOUBPRJGAMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c14-9-6-1-5-3-12-13-7(5)2-8(6)10-4-11-9/h1-4H,(H,12,13)(H,10,11,14).
What are the key properties of 1,6-dihydropyrazolo[4,3-g]quinazolin-5-one?
1,6-dihydropyrazolo[4,3-g]quinazolin-5-one has a molecular weight of 186.17 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydropyrazolo[4,3-g]quinazolin-5-one is sourced from PubChem (CID 135471989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).