1,4-dimethyl-5,6-dihydroindazole

C9H12N2 — CID 177030981

IUPAC1,4-dimethyl-5,6-dihydroindazole
SMILESCC1=c2cnn(C)c2=CCC1
InChIInChI=1S/C9H12N2/c1-7-4-3-5-9-8(7)6-10-11(9)2/h5-6H,3-4H2,1-2H3
InChIKeyINKHBSIRGYWIJX-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.17
Rot. Bonds

About 1,4-dimethyl-5,6-dihydroindazole

1,4-dimethyl-5,6-dihydroindazole (PubChem CID 177030981) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,4-dimethyl-5,6-dihydroindazole.

Molecular Properties

Compound Name1,4-dimethyl-5,6-dihydroindazole
PubChem CID177030981
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1,4-dimethyl-5,6-dihydroindazole
SMILESCC1=c2cnn(C)c2=CCC1
InChIInChI=1S/C9H12N2/c1-7-4-3-5-9-8(7)6-10-11(9)2/h5-6H,3-4H2,1-2H3
InChIKeyINKHBSIRGYWIJX-UHFFFAOYSA-N
XLogP0.17
TPSA17.82 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 ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5,6-dihydroindazole?
The IUPAC name of 1,4-dimethyl-5,6-dihydroindazole (CID 177030981) is 1,4-dimethyl-5,6-dihydroindazole.
What is the SMILES notation for 1,4-dimethyl-5,6-dihydroindazole?
The canonical SMILES for 1,4-dimethyl-5,6-dihydroindazole is CC1=c2cnn(C)c2=CCC1.
What is the InChIKey of 1,4-dimethyl-5,6-dihydroindazole?
The InChIKey is INKHBSIRGYWIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-4-3-5-9-8(7)6-10-11(9)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,4-dimethyl-5,6-dihydroindazole?
1,4-dimethyl-5,6-dihydroindazole has a molecular weight of 148.21 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5,6-dihydroindazole is sourced from PubChem (CID 177030981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).