2,7-dimethyl-3,3a-dihydroindazole

C9H12N2 — CID 90251212

IUPAC2,7-dimethyl-3,3a-dihydroindazole
SMILESCC1=CC=CC2CN(C)N=C12
InChIInChI=1S/C9H12N2/c1-7-4-3-5-8-6-11(2)10-9(7)8/h3-5,8H,6H2,1-2H3
InChIKeyLSSWLLPETPXBFV-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.42
Rot. Bonds

About 2,7-dimethyl-3,3a-dihydroindazole

2,7-dimethyl-3,3a-dihydroindazole (PubChem CID 90251212) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,7-dimethyl-3,3a-dihydroindazole.

Molecular Properties

Compound Name2,7-dimethyl-3,3a-dihydroindazole
PubChem CID90251212
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,7-dimethyl-3,3a-dihydroindazole
SMILESCC1=CC=CC2CN(C)N=C12
InChIInChI=1S/C9H12N2/c1-7-4-3-5-8-6-11(2)10-9(7)8/h3-5,8H,6H2,1-2H3
InChIKeyLSSWLLPETPXBFV-UHFFFAOYSA-N
XLogP1.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3,3a-dihydroindazole?
The IUPAC name of 2,7-dimethyl-3,3a-dihydroindazole (CID 90251212) is 2,7-dimethyl-3,3a-dihydroindazole.
What is the SMILES notation for 2,7-dimethyl-3,3a-dihydroindazole?
The canonical SMILES for 2,7-dimethyl-3,3a-dihydroindazole is CC1=CC=CC2CN(C)N=C12.
What is the InChIKey of 2,7-dimethyl-3,3a-dihydroindazole?
The InChIKey is LSSWLLPETPXBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-4-3-5-8-6-11(2)10-9(7)8/h3-5,8H,6H2,1-2H3.
What are the key properties of 2,7-dimethyl-3,3a-dihydroindazole?
2,7-dimethyl-3,3a-dihydroindazole has a molecular weight of 148.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3,3a-dihydroindazole is sourced from PubChem (CID 90251212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).