1,3-dimethyl-3a,7a-dihydroindazole

C9H12N2 — CID 129262293

IUPAC1,3-dimethyl-3a,7a-dihydroindazole
SMILESCC1=NN(C)C2C=CC=CC12
InChIInChI=1S/C9H12N2/c1-7-8-5-3-4-6-9(8)11(2)10-7/h3-6,8-9H,1-2H3
InChIKeyHKNSVNXRPLUENO-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.42
Rot. Bonds

About 1,3-dimethyl-3a,7a-dihydroindazole

1,3-dimethyl-3a,7a-dihydroindazole (PubChem CID 129262293) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,3-dimethyl-3a,7a-dihydroindazole.

Molecular Properties

Compound Name1,3-dimethyl-3a,7a-dihydroindazole
PubChem CID129262293
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1,3-dimethyl-3a,7a-dihydroindazole
SMILESCC1=NN(C)C2C=CC=CC12
InChIInChI=1S/C9H12N2/c1-7-8-5-3-4-6-9(8)11(2)10-7/h3-6,8-9H,1-2H3
InChIKeyHKNSVNXRPLUENO-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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Related Compounds

Pyrazolo[1,5-a]pyridine, 3,3a,4,7-tetrahydro-2,3,3-trimethyl-, (3aS)-
CID 591096
2-Methyl-3,3a,4,5-tetrahydroindazole
CID 21605127
1-Methyl-3a,7a-dihydroindazole
CID 19426256
1,3-Dimethyl-5,7a-dihydroindazole
CID 21336393
2,5-Dimethyl-3,3a-dihydroindazole
CID 57584886
6-Chloro-1,3,7-trimethyl-3a,7a-dihydroindazole
CID 59514064
2-Methyl-3,3a-dihydroindazole
CID 69411514
1-Methyl-6-propan-2-yl-3a,7a-dihydroindazole
CID 89667471
1,6-Dimethyl-3a,7a-dihydroindazole
CID 89669477
2,7-Dimethyl-3,3a-dihydroindazole
CID 90251212
1,3-Dimethyl-5,7a-dihydroindazole;ethane
CID 90787896
2-Methyl-4-propan-2-yl-3,7-dihydroindazole
CID 118124524

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3a,7a-dihydroindazole?
The IUPAC name of 1,3-dimethyl-3a,7a-dihydroindazole (CID 129262293) is 1,3-dimethyl-3a,7a-dihydroindazole.
What is the SMILES notation for 1,3-dimethyl-3a,7a-dihydroindazole?
The canonical SMILES for 1,3-dimethyl-3a,7a-dihydroindazole is CC1=NN(C)C2C=CC=CC12.
What is the InChIKey of 1,3-dimethyl-3a,7a-dihydroindazole?
The InChIKey is HKNSVNXRPLUENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-8-5-3-4-6-9(8)11(2)10-7/h3-6,8-9H,1-2H3.
What are the key properties of 1,3-dimethyl-3a,7a-dihydroindazole?
1,3-dimethyl-3a,7a-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 1,3-dimethyl-3a,7a-dihydroindazole is sourced from PubChem (CID 129262293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).