(7aS)-4-methyl-7,7a-dihydro-1H-indazole

C8H10N2 — CID 130254857

IUPAC(7aS)-4-methyl-7,7a-dihydro-1H-indazole
SMILESCC1=C2C=NN[C@H]2CC=C1
InChIInChI=1S/C8H10N2/c1-6-3-2-4-8-7(6)5-9-10-8/h2-3,5,8,10H,4H2,1H3/t8-/m0/s1
InChIKeyVSXITSOIFCDZEH-QMMMGPOBSA-N
MW134.18 g/mol
LogP1.22
Rot. Bonds

About (7aS)-4-methyl-7,7a-dihydro-1H-indazole

(7aS)-4-methyl-7,7a-dihydro-1H-indazole (PubChem CID 130254857) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (7aS)-4-methyl-7,7a-dihydro-1H-indazole.

Molecular Properties

Compound Name(7aS)-4-methyl-7,7a-dihydro-1H-indazole
PubChem CID130254857
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(7aS)-4-methyl-7,7a-dihydro-1H-indazole
SMILESCC1=C2C=NN[C@H]2CC=C1
InChIInChI=1S/C8H10N2/c1-6-3-2-4-8-7(6)5-9-10-8/h2-3,5,8,10H,4H2,1H3/t8-/m0/s1
InChIKeyVSXITSOIFCDZEH-QMMMGPOBSA-N
XLogP1.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aS)-4-methyl-7,7a-dihydro-1H-indazole?
The IUPAC name of (7aS)-4-methyl-7,7a-dihydro-1H-indazole (CID 130254857) is (7aS)-4-methyl-7,7a-dihydro-1H-indazole.
What is the SMILES notation for (7aS)-4-methyl-7,7a-dihydro-1H-indazole?
The canonical SMILES for (7aS)-4-methyl-7,7a-dihydro-1H-indazole is CC1=C2C=NN[C@H]2CC=C1.
What is the InChIKey of (7aS)-4-methyl-7,7a-dihydro-1H-indazole?
The InChIKey is VSXITSOIFCDZEH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-3-2-4-8-7(6)5-9-10-8/h2-3,5,8,10H,4H2,1H3/t8-/m0/s1.
What are the key properties of (7aS)-4-methyl-7,7a-dihydro-1H-indazole?
(7aS)-4-methyl-7,7a-dihydro-1H-indazole has a molecular weight of 134.18 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-4-methyl-7,7a-dihydro-1H-indazole is sourced from PubChem (CID 130254857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).