2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine

C9H12N4 — CID 19620145

IUPAC2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine
SMILESCn1ncc2cc(CCN)cnc21
InChIInChI=1S/C9H12N4/c1-13-9-8(6-12-13)4-7(2-3-10)5-11-9/h4-6H,2-3,10H2,1H3
InChIKeyJPGIRLKVIOSXQU-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.47
Rot. Bonds2

About 2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine

2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine (PubChem CID 19620145) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine
PubChem CID19620145
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine
SMILESCn1ncc2cc(CCN)cnc21
InChIInChI=1S/C9H12N4/c1-13-9-8(6-12-13)4-7(2-3-10)5-11-9/h4-6H,2-3,10H2,1H3
InChIKeyJPGIRLKVIOSXQU-UHFFFAOYSA-N
XLogP0.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine?
The IUPAC name of 2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine (CID 19620145) is 2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine.
What is the SMILES notation for 2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine?
The canonical SMILES for 2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine is Cn1ncc2cc(CCN)cnc21.
What is the InChIKey of 2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine?
The InChIKey is JPGIRLKVIOSXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-13-9-8(6-12-13)4-7(2-3-10)5-11-9/h4-6H,2-3,10H2,1H3.
What are the key properties of 2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine?
2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine has a molecular weight of 176.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine is sourced from PubChem (CID 19620145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).