3,7-dimethyl-2H-indazole;propane

C12H18N2 — CID 143828593

IUPAC3,7-dimethyl-2H-indazole;propane
SMILESCCC.Cc1[nH]nc2c(C)cccc12
InChIInChI=1S/C9H10N2.C3H8/c1-6-4-3-5-8-7(2)10-11-9(6)8;1-3-2/h3-5H,1-2H3,(H,10,11);3H2,1-2H3
InChIKeyLMYGYXIZUDYOPM-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.60
Rot. Bonds

About 3,7-dimethyl-2H-indazole;propane

3,7-dimethyl-2H-indazole;propane (PubChem CID 143828593) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3,7-dimethyl-2H-indazole;propane.

Molecular Properties

Compound Name3,7-dimethyl-2H-indazole;propane
PubChem CID143828593
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3,7-dimethyl-2H-indazole;propane
SMILESCCC.Cc1[nH]nc2c(C)cccc12
InChIInChI=1S/C9H10N2.C3H8/c1-6-4-3-5-8-7(2)10-11-9(6)8;1-3-2/h3-5H,1-2H3,(H,10,11);3H2,1-2H3
InChIKeyLMYGYXIZUDYOPM-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2H-indazole;propane?
The IUPAC name of 3,7-dimethyl-2H-indazole;propane (CID 143828593) is 3,7-dimethyl-2H-indazole;propane.
What is the SMILES notation for 3,7-dimethyl-2H-indazole;propane?
The canonical SMILES for 3,7-dimethyl-2H-indazole;propane is CCC.Cc1[nH]nc2c(C)cccc12.
What is the InChIKey of 3,7-dimethyl-2H-indazole;propane?
The InChIKey is LMYGYXIZUDYOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C3H8/c1-6-4-3-5-8-7(2)10-11-9(6)8;1-3-2/h3-5H,1-2H3,(H,10,11);3H2,1-2H3.
What are the key properties of 3,7-dimethyl-2H-indazole;propane?
3,7-dimethyl-2H-indazole;propane has a molecular weight of 190.29 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2H-indazole;propane is sourced from PubChem (CID 143828593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).