7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide

C12H16N4O2S — CID 106137855

IUPAC7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC(O)CCCNC(=O)c1sc2nccnc2c1N
InChIInChI=1S/C12H16N4O2S/c1-7(17)3-2-4-15-11(18)10-8(13)9-12(19-10)16-6-5-14-9/h5-7,17H,2-4,13H2,1H3,(H,15,18)
InChIKeyZCYVNMDRNNMHDW-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.16
Rot. Bonds5

About 7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 106137855) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID106137855
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC(O)CCCNC(=O)c1sc2nccnc2c1N
InChIInChI=1S/C12H16N4O2S/c1-7(17)3-2-4-15-11(18)10-8(13)9-12(19-10)16-6-5-14-9/h5-7,17H,2-4,13H2,1H3,(H,15,18)
InChIKeyZCYVNMDRNNMHDW-UHFFFAOYSA-N
XLogP1.16
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 107323855
7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 79361178
7-amino-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 106015917
3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide
CID 115327426
7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide
CID 106162951
7-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 106377815
7-amino-N-(thiolan-3-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 107298629
3-amino-N-(5-hydroxy-4-methylpentyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106162924
7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 80612702
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 114632820

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide (CID 106137855) is 7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide is CC(O)CCCNC(=O)c1sc2nccnc2c1N.
What is the InChIKey of 7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is ZCYVNMDRNNMHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7(17)3-2-4-15-11(18)10-8(13)9-12(19-10)16-6-5-14-9/h5-7,17H,2-4,13H2,1H3,(H,15,18).
What are the key properties of 7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 106137855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).