(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol

C14H16N6OS — CID 126496277

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol
SMILESCc1nnc2sc(C(O)NCc3cnccn3)c(N)c2c1C
InChIInChI=1S/C14H16N6OS/c1-7-8(2)19-20-14-10(7)11(15)12(22-14)13(21)18-6-9-5-16-3-4-17-9/h3-5,13,18,21H,6,15H2,1-2H3
InChIKeyDEFQUTADNHRTGN-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.46
Rot. Bonds4

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol (PubChem CID 126496277) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol
PubChem CID126496277
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol
SMILESCc1nnc2sc(C(O)NCc3cnccn3)c(N)c2c1C
InChIInChI=1S/C14H16N6OS/c1-7-8(2)19-20-14-10(7)11(15)12(22-14)13(21)18-6-9-5-16-3-4-17-9/h3-5,13,18,21H,6,15H2,1-2H3
InChIKeyDEFQUTADNHRTGN-UHFFFAOYSA-N
XLogP1.46
TPSA109.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol (CID 126496277) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol is Cc1nnc2sc(C(O)NCc3cnccn3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol?
The InChIKey is DEFQUTADNHRTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-7-8(2)19-20-14-10(7)11(15)12(22-14)13(21)18-6-9-5-16-3-4-17-9/h3-5,13,18,21H,6,15H2,1-2H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol has a molecular weight of 316.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(pyrazin-2-ylmethylamino)methanol is sourced from PubChem (CID 126496277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).