2,6-dimethyl-5-propylindazole

C12H16N2 — CID 177040666

IUPAC2,6-dimethyl-5-propylindazole
SMILESCCCc1cc2cn(C)nc2cc1C
InChIInChI=1S/C12H16N2/c1-4-5-10-7-11-8-14(3)13-12(11)6-9(10)2/h6-8H,4-5H2,1-3H3
InChIKeyHNUMEQRPSAVAIK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.83
Rot. Bonds2

About 2,6-dimethyl-5-propylindazole

2,6-dimethyl-5-propylindazole (PubChem CID 177040666) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,6-dimethyl-5-propylindazole.

Molecular Properties

Compound Name2,6-dimethyl-5-propylindazole
PubChem CID177040666
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2,6-dimethyl-5-propylindazole
SMILESCCCc1cc2cn(C)nc2cc1C
InChIInChI=1S/C12H16N2/c1-4-5-10-7-11-8-14(3)13-12(11)6-9(10)2/h6-8H,4-5H2,1-3H3
InChIKeyHNUMEQRPSAVAIK-UHFFFAOYSA-N
XLogP2.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-propylindazole?
The IUPAC name of 2,6-dimethyl-5-propylindazole (CID 177040666) is 2,6-dimethyl-5-propylindazole.
What is the SMILES notation for 2,6-dimethyl-5-propylindazole?
The canonical SMILES for 2,6-dimethyl-5-propylindazole is CCCc1cc2cn(C)nc2cc1C.
What is the InChIKey of 2,6-dimethyl-5-propylindazole?
The InChIKey is HNUMEQRPSAVAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-5-10-7-11-8-14(3)13-12(11)6-9(10)2/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,6-dimethyl-5-propylindazole?
2,6-dimethyl-5-propylindazole has a molecular weight of 188.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-propylindazole is sourced from PubChem (CID 177040666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).