N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine

C19H17FN6O — CID 23609066

IUPACN-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine
SMILESCOc1ccc(Cn2nnc3c(C)nnc(Nc4ccc(F)cc4)c32)cc1
InChIInChI=1S/C19H17FN6O/c1-12-17-18(19(24-22-12)21-15-7-5-14(20)6-8-15)26(25-23-17)11-13-3-9-16(27-2)10-4-13/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyDBIUYZDDACOEEH-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.47
Rot. Bonds5

About N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine

N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine (PubChem CID 23609066) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine
PubChem CID23609066
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC NameN-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine
SMILESCOc1ccc(Cn2nnc3c(C)nnc(Nc4ccc(F)cc4)c32)cc1
InChIInChI=1S/C19H17FN6O/c1-12-17-18(19(24-22-12)21-15-7-5-14(20)6-8-15)26(25-23-17)11-13-3-9-16(27-2)10-4-13/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyDBIUYZDDACOEEH-UHFFFAOYSA-N
XLogP3.47
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-fluorophenyl)methyl]-5-[(4-methoxyanilino)methyl]-4H-1,2,4-triazol-3-one
CID 135636883
5-bromo-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]triazole
CID 166068450
3-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-7-oxo-6H-triazolo[4,5-d]pyrimidine-5-carboxamide
CID 135719550
[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
CID 94943302
1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-methoxyphenyl)thiourea
CID 19677121
[1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone
CID 122221600
7-chloro-3-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidine
CID 11558158
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
CID 19409659
3-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 82384081
1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole
CID 42691330
7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione
CID 18697770
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine (CID 23609066) is N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine is COc1ccc(Cn2nnc3c(C)nnc(Nc4ccc(F)cc4)c32)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine?
The InChIKey is DBIUYZDDACOEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-12-17-18(19(24-22-12)21-15-7-5-14(20)6-8-15)26(25-23-17)11-13-3-9-16(27-2)10-4-13/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine?
N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine has a molecular weight of 364.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-7-methyltriazolo[4,5-d]pyridazin-4-amine is sourced from PubChem (CID 23609066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).