6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone

C12H13N5OS — CID 107377709

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone
SMILESNNc1cnc(C(=O)N2CCc3sccc3C2)cn1
InChIInChI=1S/C12H13N5OS/c13-16-11-6-14-9(5-15-11)12(18)17-3-1-10-8(7-17)2-4-19-10/h2,4-6H,1,3,7,13H2,(H,15,16)
InChIKeyCPHIQURMSZEOKF-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.02
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone (PubChem CID 107377709) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone
PubChem CID107377709
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone
SMILESNNc1cnc(C(=O)N2CCc3sccc3C2)cn1
InChIInChI=1S/C12H13N5OS/c13-16-11-6-14-9(5-15-11)12(18)17-3-1-10-8(7-17)2-4-19-10/h2,4-6H,1,3,7,13H2,(H,15,16)
InChIKeyCPHIQURMSZEOKF-UHFFFAOYSA-N
XLogP1.02
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone
CID 62249906
5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid
CID 43414813
6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-3-carbonitrile
CID 63718760
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81256931
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(2H-triazol-4-yl)methanone
CID 47338107
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-pyrazol-4-yl)methanone
CID 43582358
(6-chloropyridazin-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 54927051
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide
CID 33298248
(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109284050
N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084885
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-methylpropanoic acid
CID 61264376

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone (CID 107377709) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone is NNc1cnc(C(=O)N2CCc3sccc3C2)cn1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone?
The InChIKey is CPHIQURMSZEOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c13-16-11-6-14-9(5-15-11)12(18)17-3-1-10-8(7-17)2-4-19-10/h2,4-6H,1,3,7,13H2,(H,15,16).
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone has a molecular weight of 275.34 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone is sourced from PubChem (CID 107377709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).