3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile

C10H10N4 — CID 55273343

IUPAC3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile
SMILESN#CCC(N)c1cnc2[nH]ccc2c1
InChIInChI=1S/C10H10N4/c11-3-1-9(12)8-5-7-2-4-13-10(7)14-6-8/h2,4-6,9H,1,12H2,(H,13,14)
InChIKeyBOJLYCFLAXIPGA-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.48
Rot. Bonds2

About 3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile

3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile (PubChem CID 55273343) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile
PubChem CID55273343
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile
SMILESN#CCC(N)c1cnc2[nH]ccc2c1
InChIInChI=1S/C10H10N4/c11-3-1-9(12)8-5-7-2-4-13-10(7)14-6-8/h2,4-6,9H,1,12H2,(H,13,14)
InChIKeyBOJLYCFLAXIPGA-UHFFFAOYSA-N
XLogP1.48
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile?
The IUPAC name of 3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile (CID 55273343) is 3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile.
What is the SMILES notation for 3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile?
The canonical SMILES for 3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile is N#CCC(N)c1cnc2[nH]ccc2c1.
What is the InChIKey of 3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile?
The InChIKey is BOJLYCFLAXIPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c11-3-1-9(12)8-5-7-2-4-13-10(7)14-6-8/h2,4-6,9H,1,12H2,(H,13,14).
What are the key properties of 3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile?
3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile has a molecular weight of 186.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile is sourced from PubChem (CID 55273343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).