(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol

C18H22N6OS — CID 126496347

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol
SMILESCc1nnc2sc(C(O)N3CC(NCc4cccnc4)C3)c(N)c2c1C
InChIInChI=1S/C18H22N6OS/c1-10-11(2)22-23-17-14(10)15(19)16(26-17)18(25)24-8-13(9-24)21-7-12-4-3-5-20-6-12/h3-6,13,18,21,25H,7-9,19H2,1-2H3
InChIKeyKZFBACLCYIBXTH-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.75
Rot. Bonds5

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol (PubChem CID 126496347) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol
PubChem CID126496347
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol
SMILESCc1nnc2sc(C(O)N3CC(NCc4cccnc4)C3)c(N)c2c1C
InChIInChI=1S/C18H22N6OS/c1-10-11(2)22-23-17-14(10)15(19)16(26-17)18(25)24-8-13(9-24)21-7-12-4-3-5-20-6-12/h3-6,13,18,21,25H,7-9,19H2,1-2H3
InChIKeyKZFBACLCYIBXTH-UHFFFAOYSA-N
XLogP1.75
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol (CID 126496347) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol is Cc1nnc2sc(C(O)N3CC(NCc4cccnc4)C3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol?
The InChIKey is KZFBACLCYIBXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-10-11(2)22-23-17-14(10)15(19)16(26-17)18(25)24-8-13(9-24)21-7-12-4-3-5-20-6-12/h3-6,13,18,21,25H,7-9,19H2,1-2H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol has a molecular weight of 370.48 g/mol, XLogP of 1.75, 5 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)-[3-(pyridin-3-ylmethylamino)azetidin-1-yl]methanol is sourced from PubChem (CID 126496347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).