2,3,3a,4-tetrahydro-1H-indazole

C7H10N2 — CID 22078070

IUPAC2,3,3a,4-tetrahydro-1H-indazole
SMILESC1=CCC2CNNC2=C1
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4,6,8-9H,3,5H2
InChIKeyNYOWYNSNCXRVNQ-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.55
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-indazole

2,3,3a,4-tetrahydro-1H-indazole (PubChem CID 22078070) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-indazole.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-indazole
PubChem CID22078070
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,3,3a,4-tetrahydro-1H-indazole
SMILESC1=CCC2CNNC2=C1
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4,6,8-9H,3,5H2
InChIKeyNYOWYNSNCXRVNQ-UHFFFAOYSA-N
XLogP0.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-indazole?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-indazole (CID 22078070) is 2,3,3a,4-tetrahydro-1H-indazole.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-indazole?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-indazole is C1=CCC2CNNC2=C1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-indazole?
The InChIKey is NYOWYNSNCXRVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4,6,8-9H,3,5H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-indazole?
2,3,3a,4-tetrahydro-1H-indazole has a molecular weight of 122.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-indazole is sourced from PubChem (CID 22078070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).