1,2,4,5-tetrahydrobenzo[g]indazol-3-one

C11H10N2O — CID 10397540

IUPAC1,2,4,5-tetrahydrobenzo[g]indazol-3-one
SMILESO=c1[nH][nH]c2c1CCc1ccccc1-2
InChIInChI=1S/C11H10N2O/c14-11-9-6-5-7-3-1-2-4-8(7)10(9)12-13-11/h1-4H,5-6H2,(H2,12,13,14)
InChIKeyGFCGVNWRJQTWAC-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.47
Rot. Bonds

About 1,2,4,5-tetrahydrobenzo[g]indazol-3-one

1,2,4,5-tetrahydrobenzo[g]indazol-3-one (PubChem CID 10397540) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1,2,4,5-tetrahydrobenzo[g]indazol-3-one.

Molecular Properties

Compound Name1,2,4,5-tetrahydrobenzo[g]indazol-3-one
PubChem CID10397540
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1,2,4,5-tetrahydrobenzo[g]indazol-3-one
SMILESO=c1[nH][nH]c2c1CCc1ccccc1-2
InChIInChI=1S/C11H10N2O/c14-11-9-6-5-7-3-1-2-4-8(7)10(9)12-13-11/h1-4H,5-6H2,(H2,12,13,14)
InChIKeyGFCGVNWRJQTWAC-UHFFFAOYSA-N
XLogP1.47
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-Diphenyl-1,2-dihydropyrazol-3-one
CID 256016
4-Benzyl-1,2-dihydro-5-methyl-3H-pyrazol-3-one
CID 6922806
2-Phenylbenzhydrazide
CID 2760365
1,2-Dihydroisothiochromeno(4,3-c)pyrazol-3(5H)-one
CID 326473
3-Amino-1-phenyl-1h-indene-2-carboxamide
CID 268498
4-ethyl-4-methyl-4,5-dihydro-1H-benzo[g]indazol-3-ol
CID 5295850
5-Methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one
CID 10331768
4-(Naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one
CID 11779562
4-[(2,4-Dimethylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one
CID 71719884
4,6-Diphenyl-4,5-dihydro-2h-indazol-3-ol
CID 76312606
14,15-Diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one
CID 134141779
4-(2-Phenylethyl)-5-propyl-1,2-dihydropyrazol-3-one
CID 172434228

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrahydrobenzo[g]indazol-3-one?
The IUPAC name of 1,2,4,5-tetrahydrobenzo[g]indazol-3-one (CID 10397540) is 1,2,4,5-tetrahydrobenzo[g]indazol-3-one.
What is the SMILES notation for 1,2,4,5-tetrahydrobenzo[g]indazol-3-one?
The canonical SMILES for 1,2,4,5-tetrahydrobenzo[g]indazol-3-one is O=c1[nH][nH]c2c1CCc1ccccc1-2.
What is the InChIKey of 1,2,4,5-tetrahydrobenzo[g]indazol-3-one?
The InChIKey is GFCGVNWRJQTWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-11-9-6-5-7-3-1-2-4-8(7)10(9)12-13-11/h1-4H,5-6H2,(H2,12,13,14).
What are the key properties of 1,2,4,5-tetrahydrobenzo[g]indazol-3-one?
1,2,4,5-tetrahydrobenzo[g]indazol-3-one has a molecular weight of 186.21 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrahydrobenzo[g]indazol-3-one is sourced from PubChem (CID 10397540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).