1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine

C10H13N3 — CID 55294161

IUPAC1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine
SMILESCCC(N)c1cnc2[nH]ccc2c1
InChIInChI=1S/C10H13N3/c1-2-9(11)8-5-7-3-4-12-10(7)13-6-8/h3-6,9H,2,11H2,1H3,(H,12,13)
InChIKeyVKWUDSALNBCOQJ-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.97
Rot. Bonds2

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

1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine (PubChem CID 55294161) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine
PubChem CID55294161
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine
SMILESCCC(N)c1cnc2[nH]ccc2c1
InChIInChI=1S/C10H13N3/c1-2-9(11)8-5-7-3-4-12-10(7)13-6-8/h3-6,9H,2,11H2,1H3,(H,12,13)
InChIKeyVKWUDSALNBCOQJ-UHFFFAOYSA-N
XLogP1.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine?
The IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine (CID 55294161) is 1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine.
What is the SMILES notation for 1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine?
The canonical SMILES for 1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine is CCC(N)c1cnc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine?
The InChIKey is VKWUDSALNBCOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-9(11)8-5-7-3-4-12-10(7)13-6-8/h3-6,9H,2,11H2,1H3,(H,12,13).
What are the key properties of 1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine?
1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine has a molecular weight of 175.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine is sourced from PubChem (CID 55294161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).