hydron;4H-indazole

C7H7N2+ — CID 174728816

IUPAChydron;4H-indazole
SMILESC1=CCC2=CN=NC2=C1.[H+]
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4-5H,3H2/p+1
InChIKeyNOMWSIXEERHDSY-UHFFFAOYSA-O
MW119.15 g/mol
LogP2.29
Rot. Bonds

About hydron;4H-indazole

hydron;4H-indazole (PubChem CID 174728816) has the molecular formula C7H7N2+ and a molecular weight of 119.15 g/mol. Its IUPAC name is hydron;4H-indazole.

Molecular Properties

Compound Namehydron;4H-indazole
PubChem CID174728816
Molecular FormulaC7H7N2+
Molecular Weight119.15 g/mol
Exact Mass119.06
IUPAC Namehydron;4H-indazole
SMILESC1=CCC2=CN=NC2=C1.[H+]
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4-5H,3H2/p+1
InChIKeyNOMWSIXEERHDSY-UHFFFAOYSA-O
XLogP2.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hydron;4H-indazole?
The IUPAC name of hydron;4H-indazole (CID 174728816) is hydron;4H-indazole.
What is the SMILES notation for hydron;4H-indazole?
The canonical SMILES for hydron;4H-indazole is C1=CCC2=CN=NC2=C1.[H+].
What is the InChIKey of hydron;4H-indazole?
The InChIKey is NOMWSIXEERHDSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4-5H,3H2/p+1.
What are the key properties of hydron;4H-indazole?
hydron;4H-indazole has a molecular weight of 119.15 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;4H-indazole is sourced from PubChem (CID 174728816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).