1,6-dimethyl-4,5,6,7-tetrahydroindazole

C9H14N2 — CID 14145449

IUPAC1,6-dimethyl-4,5,6,7-tetrahydroindazole
SMILESCC1CCc2cnn(C)c2C1
InChIInChI=1S/C9H14N2/c1-7-3-4-8-6-10-11(2)9(8)5-7/h6-7H,3-5H2,1-2H3
InChIKeyQQFZWOPRDUSVRV-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.54
Rot. Bonds

About 1,6-dimethyl-4,5,6,7-tetrahydroindazole

1,6-dimethyl-4,5,6,7-tetrahydroindazole (PubChem CID 14145449) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,6-dimethyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1,6-dimethyl-4,5,6,7-tetrahydroindazole
PubChem CID14145449
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,6-dimethyl-4,5,6,7-tetrahydroindazole
SMILESCC1CCc2cnn(C)c2C1
InChIInChI=1S/C9H14N2/c1-7-3-4-8-6-10-11(2)9(8)5-7/h6-7H,3-5H2,1-2H3
InChIKeyQQFZWOPRDUSVRV-UHFFFAOYSA-N
XLogP1.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1,6-dimethyl-4,5,6,7-tetrahydroindazole (CID 14145449) is 1,6-dimethyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1,6-dimethyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1,6-dimethyl-4,5,6,7-tetrahydroindazole is CC1CCc2cnn(C)c2C1.
What is the InChIKey of 1,6-dimethyl-4,5,6,7-tetrahydroindazole?
The InChIKey is QQFZWOPRDUSVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-3-4-8-6-10-11(2)9(8)5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,6-dimethyl-4,5,6,7-tetrahydroindazole?
1,6-dimethyl-4,5,6,7-tetrahydroindazole has a molecular weight of 150.22 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 14145449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).