3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine

C9H10N4 — CID 169463700

IUPAC3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine
SMILESNCC=Cc1[nH]nc2ncccc12
InChIInChI=1S/C9H10N4/c10-5-1-4-8-7-3-2-6-11-9(7)13-12-8/h1-4,6H,5,10H2,(H,11,12,13)
InChIKeyQQVBGBINPOWKKG-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.93
Rot. Bonds2

About 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine

3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine (PubChem CID 169463700) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine
PubChem CID169463700
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine
SMILESNCC=Cc1[nH]nc2ncccc12
InChIInChI=1S/C9H10N4/c10-5-1-4-8-7-3-2-6-11-9(7)13-12-8/h1-4,6H,5,10H2,(H,11,12,13)
InChIKeyQQVBGBINPOWKKG-UHFFFAOYSA-N
XLogP0.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine?
The IUPAC name of 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine (CID 169463700) is 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine is NCC=Cc1[nH]nc2ncccc12.
What is the InChIKey of 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine?
The InChIKey is QQVBGBINPOWKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-5-1-4-8-7-3-2-6-11-9(7)13-12-8/h1-4,6H,5,10H2,(H,11,12,13).
What are the key properties of 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine?
3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine has a molecular weight of 174.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 169463700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).