6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine

C16H11ClN4O — CID 110171513

IUPAC6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1cccc(-c2nnc3c4ccccc4c(Cl)nn23)c1
InChIInChI=1S/C16H11ClN4O/c1-22-11-6-4-5-10(9-11)15-18-19-16-13-8-3-2-7-12(13)14(17)20-21(15)16/h2-9H,1H3
InChIKeyLSXAPZZEJZNBRH-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.61
Rot. Bonds2

About 6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine

6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 110171513) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID110171513
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1cccc(-c2nnc3c4ccccc4c(Cl)nn23)c1
InChIInChI=1S/C16H11ClN4O/c1-22-11-6-4-5-10(9-11)15-18-19-16-13-8-3-2-7-12(13)14(17)20-21(15)16/h2-9H,1H3
InChIKeyLSXAPZZEJZNBRH-UHFFFAOYSA-N
XLogP3.61
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 712689
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 139616217
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 86236091
2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline
CID 82167264
6-(3-methoxyphenyl)-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11441346
5-(6-chloro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-3-ethoxy-1,2-oxazole
CID 21250136
N-[3-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 11683462
3,11-bis(3-methoxyphenyl)-7-methyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene
CID 5279604
3-methoxy-N-[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]benzenesulfonamide
CID 11671222
3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine
CID 11372475
6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 110173071
1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 141464565

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine (CID 110171513) is 6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine is COc1cccc(-c2nnc3c4ccccc4c(Cl)nn23)c1.
What is the InChIKey of 6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is LSXAPZZEJZNBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c1-22-11-6-4-5-10(9-11)15-18-19-16-13-8-3-2-7-12(13)14(17)20-21(15)16/h2-9H,1H3.
What are the key properties of 6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 310.74 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 110171513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).