4,5,6,7-tetrahydro-3aH-indazol-2-ium

C7H11N2+ — CID 173071862

IUPAC4,5,6,7-tetrahydro-3aH-indazol-2-ium
SMILESC1=[NH+]N=C2CCCCC12
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5-6H,1-4H2/p+1
InChIKeyZJOFXFSUAXUVEX-UHFFFAOYSA-O
MW123.18 g/mol
LogP-0.30
Rot. Bonds

About 4,5,6,7-tetrahydro-3aH-indazol-2-ium

4,5,6,7-tetrahydro-3aH-indazol-2-ium (PubChem CID 173071862) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-3aH-indazol-2-ium.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-3aH-indazol-2-ium
PubChem CID173071862
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name4,5,6,7-tetrahydro-3aH-indazol-2-ium
SMILESC1=[NH+]N=C2CCCCC12
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5-6H,1-4H2/p+1
InChIKeyZJOFXFSUAXUVEX-UHFFFAOYSA-O
XLogP-0.30
TPSA26.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-3aH-indazol-2-ium?
The IUPAC name of 4,5,6,7-tetrahydro-3aH-indazol-2-ium (CID 173071862) is 4,5,6,7-tetrahydro-3aH-indazol-2-ium.
What is the SMILES notation for 4,5,6,7-tetrahydro-3aH-indazol-2-ium?
The canonical SMILES for 4,5,6,7-tetrahydro-3aH-indazol-2-ium is C1=[NH+]N=C2CCCCC12.
What is the InChIKey of 4,5,6,7-tetrahydro-3aH-indazol-2-ium?
The InChIKey is ZJOFXFSUAXUVEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5-6H,1-4H2/p+1.
What are the key properties of 4,5,6,7-tetrahydro-3aH-indazol-2-ium?
4,5,6,7-tetrahydro-3aH-indazol-2-ium has a molecular weight of 123.18 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-3aH-indazol-2-ium is sourced from PubChem (CID 173071862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).