5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride

C10H14ClN3OS — CID 67345140

IUPAC5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride
SMILESCl.NCCCNc1cc(=O)c2sccc2[nH]1
InChIInChI=1S/C10H13N3OS.ClH/c11-3-1-4-12-9-6-8(14)10-7(13-9)2-5-15-10;/h2,5-6H,1,3-4,11H2,(H2,12,13,14);1H
InChIKeyOFOMGGMKXLKLBS-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.77
Rot. Bonds4

About 5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride

5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride (PubChem CID 67345140) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride.

Molecular Properties

Compound Name5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride
PubChem CID67345140
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride
SMILESCl.NCCCNc1cc(=O)c2sccc2[nH]1
InChIInChI=1S/C10H13N3OS.ClH/c11-3-1-4-12-9-6-8(14)10-7(13-9)2-5-15-10;/h2,5-6H,1,3-4,11H2,(H2,12,13,14);1H
InChIKeyOFOMGGMKXLKLBS-UHFFFAOYSA-N
XLogP1.77
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride?
The IUPAC name of 5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride (CID 67345140) is 5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride.
What is the SMILES notation for 5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride?
The canonical SMILES for 5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride is Cl.NCCCNc1cc(=O)c2sccc2[nH]1.
What is the InChIKey of 5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride?
The InChIKey is OFOMGGMKXLKLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS.ClH/c11-3-1-4-12-9-6-8(14)10-7(13-9)2-5-15-10;/h2,5-6H,1,3-4,11H2,(H2,12,13,14);1H.
What are the key properties of 5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride?
5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride has a molecular weight of 259.76 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylamino)-4H-thieno[3,2-b]pyridin-7-one;hydrochloride is sourced from PubChem (CID 67345140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).