3-methyl-5,6,7,7a-tetrahydro-1H-indazole

C8H12N2 — CID 89483822

IUPAC3-methyl-5,6,7,7a-tetrahydro-1H-indazole
SMILESCC1=NNC2CCCC=C12
InChIInChI=1S/C8H12N2/c1-6-7-4-2-3-5-8(7)10-9-6/h4,8,10H,2-3,5H2,1H3
InChIKeyBHENYWVLMXYFNK-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.44
Rot. Bonds

About 3-methyl-5,6,7,7a-tetrahydro-1H-indazole

3-methyl-5,6,7,7a-tetrahydro-1H-indazole (PubChem CID 89483822) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-methyl-5,6,7,7a-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-methyl-5,6,7,7a-tetrahydro-1H-indazole
PubChem CID89483822
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-methyl-5,6,7,7a-tetrahydro-1H-indazole
SMILESCC1=NNC2CCCC=C12
InChIInChI=1S/C8H12N2/c1-6-7-4-2-3-5-8(7)10-9-6/h4,8,10H,2-3,5H2,1H3
InChIKeyBHENYWVLMXYFNK-UHFFFAOYSA-N
XLogP1.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,7a-tetrahydro-1H-indazole?
The IUPAC name of 3-methyl-5,6,7,7a-tetrahydro-1H-indazole (CID 89483822) is 3-methyl-5,6,7,7a-tetrahydro-1H-indazole.
What is the SMILES notation for 3-methyl-5,6,7,7a-tetrahydro-1H-indazole?
The canonical SMILES for 3-methyl-5,6,7,7a-tetrahydro-1H-indazole is CC1=NNC2CCCC=C12.
What is the InChIKey of 3-methyl-5,6,7,7a-tetrahydro-1H-indazole?
The InChIKey is BHENYWVLMXYFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-7-4-2-3-5-8(7)10-9-6/h4,8,10H,2-3,5H2,1H3.
What are the key properties of 3-methyl-5,6,7,7a-tetrahydro-1H-indazole?
3-methyl-5,6,7,7a-tetrahydro-1H-indazole has a molecular weight of 136.20 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,7a-tetrahydro-1H-indazole is sourced from PubChem (CID 89483822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).