1,3,5-trimethyl-5,6-dihydroindazole

C10H14N2 — CID 146477699

IUPAC1,3,5-trimethyl-5,6-dihydroindazole
SMILESCc1nn(C)c2c1=CC(C)CC=2
InChIInChI=1S/C10H14N2/c1-7-4-5-10-9(6-7)8(2)11-12(10)3/h5-7H,4H2,1-3H3
InChIKeyNDURLHGQMCZOFG-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.33
Rot. Bonds

About 1,3,5-trimethyl-5,6-dihydroindazole

1,3,5-trimethyl-5,6-dihydroindazole (PubChem CID 146477699) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,3,5-trimethyl-5,6-dihydroindazole.

Molecular Properties

Compound Name1,3,5-trimethyl-5,6-dihydroindazole
PubChem CID146477699
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,3,5-trimethyl-5,6-dihydroindazole
SMILESCc1nn(C)c2c1=CC(C)CC=2
InChIInChI=1S/C10H14N2/c1-7-4-5-10-9(6-7)8(2)11-12(10)3/h5-7H,4H2,1-3H3
InChIKeyNDURLHGQMCZOFG-UHFFFAOYSA-N
XLogP0.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-5,6-dihydroindazole?
The IUPAC name of 1,3,5-trimethyl-5,6-dihydroindazole (CID 146477699) is 1,3,5-trimethyl-5,6-dihydroindazole.
What is the SMILES notation for 1,3,5-trimethyl-5,6-dihydroindazole?
The canonical SMILES for 1,3,5-trimethyl-5,6-dihydroindazole is Cc1nn(C)c2c1=CC(C)CC=2.
What is the InChIKey of 1,3,5-trimethyl-5,6-dihydroindazole?
The InChIKey is NDURLHGQMCZOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-4-5-10-9(6-7)8(2)11-12(10)3/h5-7H,4H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-5,6-dihydroindazole?
1,3,5-trimethyl-5,6-dihydroindazole has a molecular weight of 162.24 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-5,6-dihydroindazole is sourced from PubChem (CID 146477699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).