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

C18H16N6O — CID 134805644

IUPAC3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccnc(-c2nnc3ccc(N(C)c4ccccc4)nn23)c1
InChIInChI=1S/C18H16N6O/c1-23(13-6-4-3-5-7-13)17-9-8-16-20-21-18(24(16)22-17)15-12-14(25-2)10-11-19-15/h3-12H,1-2H3
InChIKeyFYKCFYPYRAALIH-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.96
Rot. Bonds4

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

3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 134805644) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID134805644
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccnc(-c2nnc3ccc(N(C)c4ccccc4)nn23)c1
InChIInChI=1S/C18H16N6O/c1-23(13-6-4-3-5-7-13)17-9-8-16-20-21-18(24(16)22-17)15-12-14(25-2)10-11-19-15/h3-12H,1-2H3
InChIKeyFYKCFYPYRAALIH-UHFFFAOYSA-N
XLogP2.96
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
1-(5-Fluoro-2-methoxyphenyl)-4-[1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine
CID 72547759
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
2-Methyl-6-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)imidazo[1,2-b]pyridazine
CID 72706867
4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91038379
4-[(1E)-{2-[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91582777
2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-5-(pyrazol-1-yl)imidazo[1,2-a]pyridine
CID 11689612
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866545
1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
CID 1385050
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine
CID 2941340

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 134805644) is 3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1ccnc(-c2nnc3ccc(N(C)c4ccccc4)nn23)c1.
What is the InChIKey of 3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FYKCFYPYRAALIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-23(13-6-4-3-5-7-13)17-9-8-16-20-21-18(24(16)22-17)15-12-14(25-2)10-11-19-15/h3-12H,1-2H3.
What are the key properties of 3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 332.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 134805644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).