N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C18H16N6O — CID 138742283

IUPACN-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1ccccc1CNc1ccc(-c2ccnnc2)c2nncn12
InChIInChI=1S/C18H16N6O/c1-25-16-5-3-2-4-14(16)10-19-17-7-6-15(13-8-9-20-21-11-13)18-23-22-12-24(17)18/h2-9,11-12,19H,10H2,1H3
InChIKeyQGKUXCOUGWOPRZ-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.81
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine

N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 138742283) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID138742283
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1ccccc1CNc1ccc(-c2ccnnc2)c2nncn12
InChIInChI=1S/C18H16N6O/c1-25-16-5-3-2-4-14(16)10-19-17-7-6-15(13-8-9-20-21-11-13)18-23-22-12-24(17)18/h2-9,11-12,19H,10H2,1H3
InChIKeyQGKUXCOUGWOPRZ-UHFFFAOYSA-N
XLogP2.81
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine with MolForge

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Related Compounds

1-[4-[5-[(2-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine oxide
CID 146458365
8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742207
N-[(2-methoxyphenyl)methyl]-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138741913
5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol
CID 138742131
8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742137
8-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138741964
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742503
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 146458356
N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 102625319
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742636
3-[(2-methoxyphenyl)methylamino]pyridazine-4-carbothioamide
CID 80510898
N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742266

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 138742283) is N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1ccccc1CNc1ccc(-c2ccnnc2)c2nncn12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is QGKUXCOUGWOPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-25-16-5-3-2-4-14(16)10-19-17-7-6-15(13-8-9-20-21-11-13)18-23-22-12-24(17)18/h2-9,11-12,19H,10H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 332.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 138742283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).