6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole

C13H17N3O — CID 45273825

IUPAC6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole
SMILESCCOCn1ccc2c1CCc1cnn(C)c1-2
InChIInChI=1S/C13H17N3O/c1-3-17-9-16-7-6-11-12(16)5-4-10-8-14-15(2)13(10)11/h6-8H,3-5,9H2,1-2H3
InChIKeyXCCMWMHMXAIPFY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.98
Rot. Bonds3

About 6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole

6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole (PubChem CID 45273825) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole.

Molecular Properties

Compound Name6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole
PubChem CID45273825
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole
SMILESCCOCn1ccc2c1CCc1cnn(C)c1-2
InChIInChI=1S/C13H17N3O/c1-3-17-9-16-7-6-11-12(16)5-4-10-8-14-15(2)13(10)11/h6-8H,3-5,9H2,1-2H3
InChIKeyXCCMWMHMXAIPFY-UHFFFAOYSA-N
XLogP1.98
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole?
The IUPAC name of 6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole (CID 45273825) is 6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole.
What is the SMILES notation for 6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole?
The canonical SMILES for 6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole is CCOCn1ccc2c1CCc1cnn(C)c1-2.
What is the InChIKey of 6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole?
The InChIKey is XCCMWMHMXAIPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-17-9-16-7-6-11-12(16)5-4-10-8-14-15(2)13(10)11/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole?
6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole has a molecular weight of 231.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)-1-methyl-4,5-dihydropyrrolo[2,3-g]indazole is sourced from PubChem (CID 45273825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).