3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride

C9H14Cl2N4 — CID 45357286

IUPAC3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1nc2ncccc2[nH]1
InChIInChI=1S/C9H12N4.2ClH/c10-5-1-4-8-12-7-3-2-6-11-9(7)13-8;;/h2-3,6H,1,4-5,10H2,(H,11,12,13);2*1H
InChIKeyGNPXLSZZEWMJGC-UHFFFAOYSA-N
MW249.14 g/mol
LogP1.69
Rot. Bonds3

About 3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride

3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride (PubChem CID 45357286) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride
PubChem CID45357286
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1nc2ncccc2[nH]1
InChIInChI=1S/C9H12N4.2ClH/c10-5-1-4-8-12-7-3-2-6-11-9(7)13-8;;/h2-3,6H,1,4-5,10H2,(H,11,12,13);2*1H
InChIKeyGNPXLSZZEWMJGC-UHFFFAOYSA-N
XLogP1.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride (CID 45357286) is 3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride is Cl.Cl.NCCCc1nc2ncccc2[nH]1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride?
The InChIKey is GNPXLSZZEWMJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4.2ClH/c10-5-1-4-8-12-7-3-2-6-11-9(7)13-8;;/h2-3,6H,1,4-5,10H2,(H,11,12,13);2*1H.
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride?
3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride has a molecular weight of 249.14 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 45357286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).