4-methyl-1H-indazole

C8H8N2 — CID 820806

IUPAC4-methyl-1H-indazole
SMILESCc1cccc2[nH]ncc12
InChIInChI=1S/C8H8N2/c1-6-3-2-4-8-7(6)5-9-10-8/h2-5H,1H3,(H,9,10)
InChIKeyZYGYULIGJXJLRW-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.87
Rot. Bonds

About 4-methyl-1H-indazole

4-methyl-1H-indazole (PubChem CID 820806) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 4-methyl-1H-indazole.

Molecular Properties

Compound Name4-methyl-1H-indazole
PubChem CID820806
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name4-methyl-1H-indazole
SMILESCc1cccc2[nH]ncc12
InChIInChI=1S/C8H8N2/c1-6-3-2-4-8-7(6)5-9-10-8/h2-5H,1H3,(H,9,10)
InChIKeyZYGYULIGJXJLRW-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 4-methyl-1H-indazole?
The IUPAC name of 4-methyl-1H-indazole (CID 820806) is 4-methyl-1H-indazole.
What is the SMILES notation for 4-methyl-1H-indazole?
The canonical SMILES for 4-methyl-1H-indazole is Cc1cccc2[nH]ncc12.
What is the InChIKey of 4-methyl-1H-indazole?
The InChIKey is ZYGYULIGJXJLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-3-2-4-8-7(6)5-9-10-8/h2-5H,1H3,(H,9,10).
What are the key properties of 4-methyl-1H-indazole?
4-methyl-1H-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 4-methyl-1H-indazole is sourced from PubChem (CID 820806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).