5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile

C15H17N5OS — CID 95138935

IUPAC5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile
SMILESCc1csc([C@@H]2CN(c3nnc(C)c(C)c3C#N)CCO2)n1
InChIInChI=1S/C15H17N5OS/c1-9-8-22-15(17-9)13-7-20(4-5-21-13)14-12(6-16)10(2)11(3)18-19-14/h8,13H,4-5,7H2,1-3H3/t13-/m0/s1
InChIKeyGHAXWHAHVDDLKF-ZDUSSCGKSA-N
MW315.40 g/mol
LogP2.31
Rot. Bonds2

About 5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile (PubChem CID 95138935) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile
PubChem CID95138935
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile
SMILESCc1csc([C@@H]2CN(c3nnc(C)c(C)c3C#N)CCO2)n1
InChIInChI=1S/C15H17N5OS/c1-9-8-22-15(17-9)13-7-20(4-5-21-13)14-12(6-16)10(2)11(3)18-19-14/h8,13H,4-5,7H2,1-3H3/t13-/m0/s1
InChIKeyGHAXWHAHVDDLKF-ZDUSSCGKSA-N
XLogP2.31
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile (CID 95138935) is 5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile is Cc1csc([C@@H]2CN(c3nnc(C)c(C)c3C#N)CCO2)n1.
What is the InChIKey of 5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile?
The InChIKey is GHAXWHAHVDDLKF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-9-8-22-15(17-9)13-7-20(4-5-21-13)14-12(6-16)10(2)11(3)18-19-14/h8,13H,4-5,7H2,1-3H3/t13-/m0/s1.
What are the key properties of 5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile has a molecular weight of 315.40 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 95138935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).