1,4,7-trimethyl-3a,7a-dihydroindazole

C10H14N2 — CID 118668470

IUPAC1,4,7-trimethyl-3a,7a-dihydroindazole
SMILESCC1=CC=C(C)C2C1C=NN2C
InChIInChI=1S/C10H14N2/c1-7-4-5-8(2)10-9(7)6-11-12(10)3/h4-6,9-10H,1-3H3
InChIKeyQOJAUYRYRPBVHJ-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.81
Rot. Bonds

About 1,4,7-trimethyl-3a,7a-dihydroindazole

1,4,7-trimethyl-3a,7a-dihydroindazole (PubChem CID 118668470) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,4,7-trimethyl-3a,7a-dihydroindazole.

Molecular Properties

Compound Name1,4,7-trimethyl-3a,7a-dihydroindazole
PubChem CID118668470
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,4,7-trimethyl-3a,7a-dihydroindazole
SMILESCC1=CC=C(C)C2C1C=NN2C
InChIInChI=1S/C10H14N2/c1-7-4-5-8(2)10-9(7)6-11-12(10)3/h4-6,9-10H,1-3H3
InChIKeyQOJAUYRYRPBVHJ-UHFFFAOYSA-N
XLogP1.81
TPSA15.60 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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,7-trimethyl-3a,7a-dihydroindazole?
The IUPAC name of 1,4,7-trimethyl-3a,7a-dihydroindazole (CID 118668470) is 1,4,7-trimethyl-3a,7a-dihydroindazole.
What is the SMILES notation for 1,4,7-trimethyl-3a,7a-dihydroindazole?
The canonical SMILES for 1,4,7-trimethyl-3a,7a-dihydroindazole is CC1=CC=C(C)C2C1C=NN2C.
What is the InChIKey of 1,4,7-trimethyl-3a,7a-dihydroindazole?
The InChIKey is QOJAUYRYRPBVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-4-5-8(2)10-9(7)6-11-12(10)3/h4-6,9-10H,1-3H3.
What are the key properties of 1,4,7-trimethyl-3a,7a-dihydroindazole?
1,4,7-trimethyl-3a,7a-dihydroindazole has a molecular weight of 162.24 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethyl-3a,7a-dihydroindazole is sourced from PubChem (CID 118668470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).