2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole

C10H18N2 — CID 144881805

IUPAC2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole
SMILESCN1C=C2CC(C)(C)CCC2N1
InChIInChI=1S/C10H18N2/c1-10(2)5-4-9-8(6-10)7-12(3)11-9/h7,9,11H,4-6H2,1-3H3
InChIKeyDLPVTPBQVZCHMZ-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.90
Rot. Bonds

About 2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole

2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole (PubChem CID 144881805) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole.

Molecular Properties

Compound Name2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole
PubChem CID144881805
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole
SMILESCN1C=C2CC(C)(C)CCC2N1
InChIInChI=1S/C10H18N2/c1-10(2)5-4-9-8(6-10)7-12(3)11-9/h7,9,11H,4-6H2,1-3H3
InChIKeyDLPVTPBQVZCHMZ-UHFFFAOYSA-N
XLogP1.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole?
The IUPAC name of 2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole (CID 144881805) is 2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole.
What is the SMILES notation for 2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole?
The canonical SMILES for 2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole is CN1C=C2CC(C)(C)CCC2N1.
What is the InChIKey of 2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole?
The InChIKey is DLPVTPBQVZCHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2)5-4-9-8(6-10)7-12(3)11-9/h7,9,11H,4-6H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole?
2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole has a molecular weight of 166.27 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole is sourced from PubChem (CID 144881805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).