3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine

C11H17N5 — CID 96608979

IUPAC3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine
SMILESCN(C)CCc1nn(C)c2ncc(N)cc12
InChIInChI=1S/C11H17N5/c1-15(2)5-4-10-9-6-8(12)7-13-11(9)16(3)14-10/h6-7H,4-5,12H2,1-3H3
InChIKeyDAXFPDQLFGCPQO-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.65
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine

3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine (PubChem CID 96608979) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine
PubChem CID96608979
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine
SMILESCN(C)CCc1nn(C)c2ncc(N)cc12
InChIInChI=1S/C11H17N5/c1-15(2)5-4-10-9-6-8(12)7-13-11(9)16(3)14-10/h6-7H,4-5,12H2,1-3H3
InChIKeyDAXFPDQLFGCPQO-UHFFFAOYSA-N
XLogP0.65
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine (CID 96608979) is 3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine is CN(C)CCc1nn(C)c2ncc(N)cc12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is DAXFPDQLFGCPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-15(2)5-4-10-9-6-8(12)7-13-11(9)16(3)14-10/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine?
3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 219.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1-methylpyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 96608979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).