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

C14H13N5O — CID 7532415

IUPACN-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3nnc(C)n3n2)c1
InChIInChI=1S/C14H13N5O/c1-9-16-17-14-7-6-13(18-19(9)14)11-4-3-5-12(8-11)15-10(2)20/h3-8H,1-2H3,(H,15,20)
InChIKeyKKFMTAPSWIHVSY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.06
Rot. Bonds2

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

N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 7532415) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID7532415
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3nnc(C)n3n2)c1
InChIInChI=1S/C14H13N5O/c1-9-16-17-14-7-6-13(18-19(9)14)11-4-3-5-12(8-11)15-10(2)20/h3-8H,1-2H3,(H,15,20)
InChIKeyKKFMTAPSWIHVSY-UHFFFAOYSA-N
XLogP2.06
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 7532415) is N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc3nnc(C)n3n2)c1.
What is the InChIKey of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is KKFMTAPSWIHVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-16-17-14-7-6-13(18-19(9)14)11-4-3-5-12(8-11)15-10(2)20/h3-8H,1-2H3,(H,15,20).
What are the key properties of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 7532415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).