8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine

C18H20N6S — CID 161158714

IUPAC8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCC(C)c1nncc2cccnc12.CC(C)c1nncc2scnc12
InChIInChI=1S/C10H11N3.C8H9N3S/c1-7(2)9-10-8(6-12-13-9)4-3-5-11-10;1-5(2)7-8-6(3-10-11-7)12-4-9-8/h3-7H,1-2H3;3-5H,1-2H3
InChIKeyUPQJKCLQMPAVMK-UHFFFAOYSA-N
MW352.47 g/mol
LogP4.36
Rot. Bonds2

About 8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine

8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine (PubChem CID 161158714) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is 8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine
PubChem CID161158714
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC Name8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine
SMILESCC(C)c1nncc2cccnc12.CC(C)c1nncc2scnc12
InChIInChI=1S/C10H11N3.C8H9N3S/c1-7(2)9-10-8(6-12-13-9)4-3-5-11-10;1-5(2)7-8-6(3-10-11-7)12-4-9-8/h3-7H,1-2H3;3-5H,1-2H3
InChIKeyUPQJKCLQMPAVMK-UHFFFAOYSA-N
XLogP4.36
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine?
The IUPAC name of 8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine (CID 161158714) is 8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine.
What is the SMILES notation for 8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine?
The canonical SMILES for 8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine is CC(C)c1nncc2cccnc12.CC(C)c1nncc2scnc12.
What is the InChIKey of 8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine?
The InChIKey is UPQJKCLQMPAVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C8H9N3S/c1-7(2)9-10-8(6-12-13-9)4-3-5-11-10;1-5(2)7-8-6(3-10-11-7)12-4-9-8/h3-7H,1-2H3;3-5H,1-2H3.
What are the key properties of 8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine?
8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine has a molecular weight of 352.47 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine is sourced from PubChem (CID 161158714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).