1-methyl-5,7a-dihydroindazole

C8H10N2 — CID 123390047

IUPAC1-methyl-5,7a-dihydroindazole
SMILESCN1N=CC2=CCC=CC21
InChIInChI=1S/C8H10N2/c1-10-8-5-3-2-4-7(8)6-9-10/h3-6,8H,2H2,1H3
InChIKeyCOCCNBGPJXUCMN-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.17
Rot. Bonds

About 1-methyl-5,7a-dihydroindazole

1-methyl-5,7a-dihydroindazole (PubChem CID 123390047) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-methyl-5,7a-dihydroindazole.

Molecular Properties

Compound Name1-methyl-5,7a-dihydroindazole
PubChem CID123390047
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-methyl-5,7a-dihydroindazole
SMILESCN1N=CC2=CCC=CC21
InChIInChI=1S/C8H10N2/c1-10-8-5-3-2-4-7(8)6-9-10/h3-6,8H,2H2,1H3
InChIKeyCOCCNBGPJXUCMN-UHFFFAOYSA-N
XLogP1.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pyrazolo[1,5-a]pyridine, 3,3a,4,7-tetrahydro-3,3-dimethyl-, (3aS)-
CID 591596
1-Methyl-3a,7a-dihydroindazole
CID 19426256
1,3-Dimethyl-5,7a-dihydroindazole
CID 21336393
N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine
CID 89320042
1-Methyl-3a,7a-dihydropyrazolo[4,3-b]pyridine
CID 89383601
1-Methyl-6-propan-2-yl-3a,7a-dihydroindazole
CID 89667471
1,6-Dimethyl-3a,7a-dihydroindazole
CID 89669477
1,3-Dimethyl-5,7a-dihydroindazole;ethane
CID 90787896
7-Bromo-1-methyl-5,7a-dihydroindazole
CID 91556615
5-Bromo-1-methyl-7,7a-dihydroindazole
CID 117869721
5-Methyl-4a,5-dihydropyrrolo[1,2-b]pyridazine
CID 123828726
1-Methyl-5,6-dihydroindazole
CID 137468550

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,7a-dihydroindazole?
The IUPAC name of 1-methyl-5,7a-dihydroindazole (CID 123390047) is 1-methyl-5,7a-dihydroindazole.
What is the SMILES notation for 1-methyl-5,7a-dihydroindazole?
The canonical SMILES for 1-methyl-5,7a-dihydroindazole is CN1N=CC2=CCC=CC21.
What is the InChIKey of 1-methyl-5,7a-dihydroindazole?
The InChIKey is COCCNBGPJXUCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-10-8-5-3-2-4-7(8)6-9-10/h3-6,8H,2H2,1H3.
What are the key properties of 1-methyl-5,7a-dihydroindazole?
1-methyl-5,7a-dihydroindazole has a molecular weight of 134.18 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,7a-dihydroindazole is sourced from PubChem (CID 123390047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).