3-methyl-2,3,5,6-tetrahydro-1H-indazole

C8H12N2 — CID 126583633

IUPAC3-methyl-2,3,5,6-tetrahydro-1H-indazole
SMILESCC1NNC2=CCCC=C21
InChIInChI=1S/C8H12N2/c1-6-7-4-2-3-5-8(7)10-9-6/h4-6,9-10H,2-3H2,1H3
InChIKeyLHUSFVDRBYZDEU-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.09
Rot. Bonds

About 3-methyl-2,3,5,6-tetrahydro-1H-indazole

3-methyl-2,3,5,6-tetrahydro-1H-indazole (PubChem CID 126583633) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-methyl-2,3,5,6-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-methyl-2,3,5,6-tetrahydro-1H-indazole
PubChem CID126583633
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-methyl-2,3,5,6-tetrahydro-1H-indazole
SMILESCC1NNC2=CCCC=C21
InChIInChI=1S/C8H12N2/c1-6-7-4-2-3-5-8(7)10-9-6/h4-6,9-10H,2-3H2,1H3
InChIKeyLHUSFVDRBYZDEU-UHFFFAOYSA-N
XLogP1.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,5,6-tetrahydro-1H-indazole?
The IUPAC name of 3-methyl-2,3,5,6-tetrahydro-1H-indazole (CID 126583633) is 3-methyl-2,3,5,6-tetrahydro-1H-indazole.
What is the SMILES notation for 3-methyl-2,3,5,6-tetrahydro-1H-indazole?
The canonical SMILES for 3-methyl-2,3,5,6-tetrahydro-1H-indazole is CC1NNC2=CCCC=C21.
What is the InChIKey of 3-methyl-2,3,5,6-tetrahydro-1H-indazole?
The InChIKey is LHUSFVDRBYZDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-7-4-2-3-5-8(7)10-9-6/h4-6,9-10H,2-3H2,1H3.
What are the key properties of 3-methyl-2,3,5,6-tetrahydro-1H-indazole?
3-methyl-2,3,5,6-tetrahydro-1H-indazole has a molecular weight of 136.20 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,5,6-tetrahydro-1H-indazole is sourced from PubChem (CID 126583633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).