1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole

C9H16N2 — CID 155456337

IUPAC1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole
SMILESCN1CC2=C(CCCC2)N1C
InChIInChI=1S/C9H16N2/c1-10-7-8-5-3-4-6-9(8)11(10)2/h3-7H2,1-2H3
InChIKeyOSPPMKLAIDQZLB-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.61
Rot. Bonds

About 1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole

1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole (PubChem CID 155456337) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole.

Molecular Properties

Compound Name1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole
PubChem CID155456337
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole
SMILESCN1CC2=C(CCCC2)N1C
InChIInChI=1S/C9H16N2/c1-10-7-8-5-3-4-6-9(8)11(10)2/h3-7H2,1-2H3
InChIKeyOSPPMKLAIDQZLB-UHFFFAOYSA-N
XLogP1.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole?
The IUPAC name of 1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole (CID 155456337) is 1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole.
What is the SMILES notation for 1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole?
The canonical SMILES for 1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole is CN1CC2=C(CCCC2)N1C.
What is the InChIKey of 1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole?
The InChIKey is OSPPMKLAIDQZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-10-7-8-5-3-4-6-9(8)11(10)2/h3-7H2,1-2H3.
What are the key properties of 1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole?
1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole has a molecular weight of 152.24 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4,5,6,7-tetrahydro-3H-indazole is sourced from PubChem (CID 155456337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).