N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine

C9H11N3 — CID 22273641

IUPACN-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCCNc1cnc2[nH]ccc2c1
InChIInChI=1S/C9H11N3/c1-2-10-8-5-7-3-4-11-9(7)12-6-8/h3-6,10H,2H2,1H3,(H,11,12)
InChIKeyPBCVUTMCRYRCPF-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.99
Rot. Bonds2

About N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine

N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 22273641) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound NameN-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID22273641
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC NameN-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCCNc1cnc2[nH]ccc2c1
InChIInChI=1S/C9H11N3/c1-2-10-8-5-7-3-4-11-9(7)12-6-8/h3-6,10H,2H2,1H3,(H,11,12)
InChIKeyPBCVUTMCRYRCPF-UHFFFAOYSA-N
XLogP1.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 22273641) is N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine is CCNc1cnc2[nH]ccc2c1.
What is the InChIKey of N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is PBCVUTMCRYRCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-10-8-5-7-3-4-11-9(7)12-6-8/h3-6,10H,2H2,1H3,(H,11,12).
What are the key properties of N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine?
N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 161.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 22273641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).