(cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol

C13H17N3OS — CID 123504290

IUPAC(cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
SMILESCc1nnc2sc(C(O)NC3CC3)c(C)c2c1C
InChIInChI=1S/C13H17N3OS/c1-6-8(3)15-16-13-10(6)7(2)11(18-13)12(17)14-9-4-5-9/h9,12,14,17H,4-5H2,1-3H3
InChIKeyLDQKANKZROMAKF-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.36
Rot. Bonds3

About (cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol

(cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol (PubChem CID 123504290) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol.

Molecular Properties

Compound Name(cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
PubChem CID123504290
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
SMILESCc1nnc2sc(C(O)NC3CC3)c(C)c2c1C
InChIInChI=1S/C13H17N3OS/c1-6-8(3)15-16-13-10(6)7(2)11(18-13)12(17)14-9-4-5-9/h9,12,14,17H,4-5H2,1-3H3
InChIKeyLDQKANKZROMAKF-UHFFFAOYSA-N
XLogP2.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol?
The IUPAC name of (cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol (CID 123504290) is (cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol.
What is the SMILES notation for (cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol?
The canonical SMILES for (cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol is Cc1nnc2sc(C(O)NC3CC3)c(C)c2c1C.
What is the InChIKey of (cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol?
The InChIKey is LDQKANKZROMAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-6-8(3)15-16-13-10(6)7(2)11(18-13)12(17)14-9-4-5-9/h9,12,14,17H,4-5H2,1-3H3.
What are the key properties of (cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol?
(cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol has a molecular weight of 263.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol is sourced from PubChem (CID 123504290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).