1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide

C14H16N6OS — CID 126901151

IUPAC1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(c3cc4c(nn3)CCSC4)C2)c1
InChIInChI=1S/C14H16N6OS/c15-14(21)10-4-16-20(5-10)11-6-19(7-11)13-3-9-8-22-2-1-12(9)17-18-13/h3-5,11H,1-2,6-8H2,(H2,15,21)
InChIKeyHJOVKMPCQMYHBX-UHFFFAOYSA-N
MW316.39 g/mol
LogP0.62
Rot. Bonds3

About 1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide

1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126901151) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide
PubChem CID126901151
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(c3cc4c(nn3)CCSC4)C2)c1
InChIInChI=1S/C14H16N6OS/c15-14(21)10-4-16-20(5-10)11-6-19(7-11)13-3-9-8-22-2-1-12(9)17-18-13/h3-5,11H,1-2,6-8H2,(H2,15,21)
InChIKeyHJOVKMPCQMYHBX-UHFFFAOYSA-N
XLogP0.62
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide (CID 126901151) is 1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide is NC(=O)c1cnn(C2CN(c3cc4c(nn3)CCSC4)C2)c1.
What is the InChIKey of 1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is HJOVKMPCQMYHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c15-14(21)10-4-16-20(5-10)11-6-19(7-11)13-3-9-8-22-2-1-12(9)17-18-13/h3-5,11H,1-2,6-8H2,(H2,15,21).
What are the key properties of 1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide?
1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)azetidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126901151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).