N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C20H21N7O — CID 167748019

IUPACN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1nc(C)cc(C)c1CN(C)c1ccc2nnc(-c3ccncc3)n2n1
InChIInChI=1S/C20H21N7O/c1-13-11-14(2)22-20(28-4)16(13)12-26(3)18-6-5-17-23-24-19(27(17)25-18)15-7-9-21-10-8-15/h5-11H,12H2,1-4H3
InChIKeyUNGPBOVXNGNLQW-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.84
Rot. Bonds5

About N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 167748019) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID167748019
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1nc(C)cc(C)c1CN(C)c1ccc2nnc(-c3ccncc3)n2n1
InChIInChI=1S/C20H21N7O/c1-13-11-14(2)22-20(28-4)16(13)12-26(3)18-6-5-17-23-24-19(27(17)25-18)15-7-9-21-10-8-15/h5-11H,12H2,1-4H3
InChIKeyUNGPBOVXNGNLQW-UHFFFAOYSA-N
XLogP2.84
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

6-[[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1H-pyridin-2-one
CID 167777764
N-(1-benzofuran-2-ylmethyl)-N-methyl-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133492278
3-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-2-methylpropanenitrile
CID 166245965
N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133412957
6-ethylsulfanyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190804
3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-2-methylpropanenitrile
CID 166245966
N-(3,4-dimethoxyphenyl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 16825459
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133356610
3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 136524598
2-methoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532694
6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190904
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine
CID 163311507

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 167748019) is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1nc(C)cc(C)c1CN(C)c1ccc2nnc(-c3ccncc3)n2n1.
What is the InChIKey of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is UNGPBOVXNGNLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-11-14(2)22-20(28-4)16(13)12-26(3)18-6-5-17-23-24-19(27(17)25-18)15-7-9-21-10-8-15/h5-11H,12H2,1-4H3.
What are the key properties of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 375.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-methyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 167748019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).