3H-indazole;methane

C10H18N2 — CID 161379696

IUPAC3H-indazole;methane
SMILESC.C.C.c1ccc2c(c1)CN=N2
InChIInChI=1S/C7H6N2.3CH4/c1-2-4-7-6(3-1)5-8-9-7;;;/h1-4H,5H2;3*1H4
InChIKeyVROFINXQGJHAOD-UHFFFAOYSA-N
MW166.27 g/mol
LogP4.19
Rot. Bonds

About 3H-indazole;methane

3H-indazole;methane (PubChem CID 161379696) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3H-indazole;methane.

Molecular Properties

Compound Name3H-indazole;methane
PubChem CID161379696
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3H-indazole;methane
SMILESC.C.C.c1ccc2c(c1)CN=N2
InChIInChI=1S/C7H6N2.3CH4/c1-2-4-7-6(3-1)5-8-9-7;;;/h1-4H,5H2;3*1H4
InChIKeyVROFINXQGJHAOD-UHFFFAOYSA-N
XLogP4.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-indazole;methane?
The IUPAC name of 3H-indazole;methane (CID 161379696) is 3H-indazole;methane.
What is the SMILES notation for 3H-indazole;methane?
The canonical SMILES for 3H-indazole;methane is C.C.C.c1ccc2c(c1)CN=N2.
What is the InChIKey of 3H-indazole;methane?
The InChIKey is VROFINXQGJHAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.3CH4/c1-2-4-7-6(3-1)5-8-9-7;;;/h1-4H,5H2;3*1H4.
What are the key properties of 3H-indazole;methane?
3H-indazole;methane has a molecular weight of 166.27 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indazole;methane is sourced from PubChem (CID 161379696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).