2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

C18H15N7O2 — CID 121036620

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cn1
InChIInChI=1S/C18H15N7O2/c1-12-8-18(27)24(10-19-12)9-17(26)21-14-4-2-13(3-5-14)15-6-7-16-22-20-11-25(16)23-15/h2-8,10-11H,9H2,1H3,(H,21,26)
InChIKeyMIRSTBQILOIZDN-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.30
Rot. Bonds4

About 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 121036620) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID121036620
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cn1
InChIInChI=1S/C18H15N7O2/c1-12-8-18(27)24(10-19-12)9-17(26)21-14-4-2-13(3-5-14)15-6-7-16-22-20-11-25(16)23-15/h2-8,10-11H,9H2,1H3,(H,21,26)
InChIKeyMIRSTBQILOIZDN-UHFFFAOYSA-N
XLogP1.30
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036846
2-methoxy-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532318
2-ethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 7532321
2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532239
2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532281
2-(4-acetylphenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036596
2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532242
2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16821295
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532323
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036605
N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224567
N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064065

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 121036620) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cn1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is MIRSTBQILOIZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-12-8-18(27)24(10-19-12)9-17(26)21-14-4-2-13(3-5-14)15-6-7-16-22-20-11-25(16)23-15/h2-8,10-11H,9H2,1H3,(H,21,26).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 361.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 121036620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).