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

C22H16N6O — CID 7532485

IUPACN-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide
SMILESCc1nnc2ccc(-c3cccc(NC(=O)c4ccc5ccccc5n4)c3)nn12
InChIInChI=1S/C22H16N6O/c1-14-25-26-21-12-11-19(27-28(14)21)16-6-4-7-17(13-16)23-22(29)20-10-9-15-5-2-3-8-18(15)24-20/h2-13H,1H3,(H,23,29)
InChIKeyLAJFNHISAVPCLS-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.90
Rot. Bonds3

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

N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide (PubChem CID 7532485) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide
PubChem CID7532485
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC NameN-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide
SMILESCc1nnc2ccc(-c3cccc(NC(=O)c4ccc5ccccc5n4)c3)nn12
InChIInChI=1S/C22H16N6O/c1-14-25-26-21-12-11-19(27-28(14)21)16-6-4-7-17(13-16)23-22(29)20-10-9-15-5-2-3-8-18(15)24-20/h2-13H,1H3,(H,23,29)
InChIKeyLAJFNHISAVPCLS-UHFFFAOYSA-N
XLogP3.90
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide
CID 7532386
N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide
CID 16872898
3-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532492
4-fluoro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532465
methyl 4-[[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]carbamoyl]benzoate
CID 121036330
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 121036367
N-[2-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)anilino]-2-oxoethyl]benzamide
CID 121036304
3-cyano-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036320
2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532509
4-butoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532442
N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-2-carboxamide
CID 16873455
2-chloro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873265

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide (CID 7532485) is N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide is Cc1nnc2ccc(-c3cccc(NC(=O)c4ccc5ccccc5n4)c3)nn12.
What is the InChIKey of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide?
The InChIKey is LAJFNHISAVPCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c1-14-25-26-21-12-11-19(27-28(14)21)16-6-4-7-17(13-16)23-22(29)20-10-9-15-5-2-3-8-18(15)24-20/h2-13H,1H3,(H,23,29).
What are the key properties of N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide?
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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]quinoline-2-carboxamide is sourced from PubChem (CID 7532485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).