3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide

C15H16N6O — CID 56762060

IUPAC3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide
SMILESCc1nn2cnnc2c(C)c1CCC(=O)Nc1ccccn1
InChIInChI=1S/C15H16N6O/c1-10-12(11(2)20-21-9-17-19-15(10)21)6-7-14(22)18-13-5-3-4-8-16-13/h3-5,8-9H,6-7H2,1-2H3,(H,16,18,22)
InChIKeyRLDHPZQECOWXSP-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.71
Rot. Bonds4

About 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide

3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide (PubChem CID 56762060) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide
PubChem CID56762060
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide
SMILESCc1nn2cnnc2c(C)c1CCC(=O)Nc1ccccn1
InChIInChI=1S/C15H16N6O/c1-10-12(11(2)20-21-9-17-19-15(10)21)6-7-14(22)18-13-5-3-4-8-16-13/h3-5,8-9H,6-7H2,1-2H3,(H,16,18,22)
InChIKeyRLDHPZQECOWXSP-UHFFFAOYSA-N
XLogP1.71
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide with MolForge

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Related Compounds

N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
CID 20950301
N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
CID 20950279
ethyl 4-[3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanoylamino]benzoate
CID 20950336
3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 46341423
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 20950355
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide
CID 110675483
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
CID 28713222
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide (CID 56762060) is 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide is Cc1nn2cnnc2c(C)c1CCC(=O)Nc1ccccn1.
What is the InChIKey of 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is RLDHPZQECOWXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-10-12(11(2)20-21-9-17-19-15(10)21)6-7-14(22)18-13-5-3-4-8-16-13/h3-5,8-9H,6-7H2,1-2H3,(H,16,18,22).
What are the key properties of 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide?
3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 296.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 56762060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).