3-methyl-2H-indazole

C8H8N2 — CID 820804

IUPAC3-methyl-2H-indazole
SMILESCc1[nH]nc2ccccc12
InChIInChI=1S/C8H8N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3,(H,9,10)
InChIKeyFWOPJXVQGMZKEP-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.87
Rot. Bonds

About 3-methyl-2H-indazole

3-methyl-2H-indazole (PubChem CID 820804) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3-methyl-2H-indazole.

Molecular Properties

Compound Name3-methyl-2H-indazole
PubChem CID820804
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3-methyl-2H-indazole
SMILESCc1[nH]nc2ccccc12
InChIInChI=1S/C8H8N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3,(H,9,10)
InChIKeyFWOPJXVQGMZKEP-UHFFFAOYSA-N
XLogP1.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-indazole?
The IUPAC name of 3-methyl-2H-indazole (CID 820804) is 3-methyl-2H-indazole.
What is the SMILES notation for 3-methyl-2H-indazole?
The canonical SMILES for 3-methyl-2H-indazole is Cc1[nH]nc2ccccc12.
What is the InChIKey of 3-methyl-2H-indazole?
The InChIKey is FWOPJXVQGMZKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3,(H,9,10).
What are the key properties of 3-methyl-2H-indazole?
3-methyl-2H-indazole has a molecular weight of 132.17 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-indazole is sourced from PubChem (CID 820804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).