ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine

C12H18N2 — CID 169106736

IUPACethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine
SMILESCC.Cc1cc(C)c2ccn(C)c2n1
InChIInChI=1S/C10H12N2.C2H6/c1-7-6-8(2)11-10-9(7)4-5-12(10)3;1-2/h4-6H,1-3H3;1-2H3
InChIKeyVSQHNUBGKKFTAQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.22
Rot. Bonds

About ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine

ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine (PubChem CID 169106736) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine
PubChem CID169106736
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Nameethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine
SMILESCC.Cc1cc(C)c2ccn(C)c2n1
InChIInChI=1S/C10H12N2.C2H6/c1-7-6-8(2)11-10-9(7)4-5-12(10)3;1-2/h4-6H,1-3H3;1-2H3
InChIKeyVSQHNUBGKKFTAQ-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-6-chloro-1-methylpyrrolo[2,3-b]pyridine
CID 169206067
1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione
CID 23335401
7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 58813306
1,4,6-trimethylpyrrolo[2,3-b]pyridin-3-amine
CID 96590803
2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 142932958
5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine
CID 158271439
5,7-dimethyl-1-(2-phenylethyl)-1,8-naphthyridin-2-one
CID 139602583
1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one
CID 22753551
1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride
CID 23335414
4,7-dimethylpyrrolo[2,3-d]pyrimidine
CID 58526542
6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 169206112
6-bromo-1,4-dimethylindole
CID 122697922

Frequently Asked Questions

What is the IUPAC name of ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine (CID 169106736) is ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine is CC.Cc1cc(C)c2ccn(C)c2n1.
What is the InChIKey of ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine?
The InChIKey is VSQHNUBGKKFTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C2H6/c1-7-6-8(2)11-10-9(7)4-5-12(10)3;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine?
ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine has a molecular weight of 190.29 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,4,6-trimethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 169106736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).