1H-diazirino[1,2-a]indazol-7-one

C8H6N2O — CID 143419742

IUPAC1H-diazirino[1,2-a]indazol-7-one
SMILESO=c1c2ccccc2n2n1C2
InChIInChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10(8)9/h1-4H,5H2
InChIKeySSKPSGVBFZVCOR-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.62
Rot. Bonds

About 1H-diazirino[1,2-a]indazol-7-one

1H-diazirino[1,2-a]indazol-7-one (PubChem CID 143419742) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 1H-diazirino[1,2-a]indazol-7-one.

Molecular Properties

Compound Name1H-diazirino[1,2-a]indazol-7-one
PubChem CID143419742
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name1H-diazirino[1,2-a]indazol-7-one
SMILESO=c1c2ccccc2n2n1C2
InChIInChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10(8)9/h1-4H,5H2
InChIKeySSKPSGVBFZVCOR-UHFFFAOYSA-N
XLogP0.62
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione
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11-iodobenzo[b][1]benzazepine-5,6-dione
CID 139448452
carbazole-9-carbonyl fluoride
CID 45082000
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
2,10,16,24-tetraza-1-boraheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-3,5,7,11(25),12,14,18,20,22-nonaene-9,17-dione
CID 172537352

Frequently Asked Questions

What is the IUPAC name of 1H-diazirino[1,2-a]indazol-7-one?
The IUPAC name of 1H-diazirino[1,2-a]indazol-7-one (CID 143419742) is 1H-diazirino[1,2-a]indazol-7-one.
What is the SMILES notation for 1H-diazirino[1,2-a]indazol-7-one?
The canonical SMILES for 1H-diazirino[1,2-a]indazol-7-one is O=c1c2ccccc2n2n1C2.
What is the InChIKey of 1H-diazirino[1,2-a]indazol-7-one?
The InChIKey is SSKPSGVBFZVCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10(8)9/h1-4H,5H2.
What are the key properties of 1H-diazirino[1,2-a]indazol-7-one?
1H-diazirino[1,2-a]indazol-7-one has a molecular weight of 146.15 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-diazirino[1,2-a]indazol-7-one is sourced from PubChem (CID 143419742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).