2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine

C22H22ClN5O3 — CID 22329676

IUPAC2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(OC)c(OC)c3)c3c(C)nc(C)n3n2)cc1Cl
InChIInChI=1S/C22H22ClN5O3/c1-12-20-22(25-15-7-9-18(30-4)19(11-15)31-5)26-21(27-28(20)13(2)24-12)14-6-8-17(29-3)16(23)10-14/h6-11H,1-5H3,(H,25,26,27)
InChIKeyYDCZRIKBRKLWNQ-UHFFFAOYSA-N
MW439.90 g/mol
LogP4.83
Rot. Bonds6

About 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine

2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 22329676) has the molecular formula C22H22ClN5O3 and a molecular weight of 439.90 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID22329676
Molecular FormulaC22H22ClN5O3
Molecular Weight439.90 g/mol
Exact Mass439.14
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(OC)c(OC)c3)c3c(C)nc(C)n3n2)cc1Cl
InChIInChI=1S/C22H22ClN5O3/c1-12-20-22(25-15-7-9-18(30-4)19(11-15)31-5)26-21(27-28(20)13(2)24-12)14-6-8-17(29-3)16(23)10-14/h6-11H,1-5H3,(H,25,26,27)
InChIKeyYDCZRIKBRKLWNQ-UHFFFAOYSA-N
XLogP4.83
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 20825639
2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 58677715
N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide
CID 10344915
7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 12052746
5-(3,4-dimethoxyanilino)-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412306
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426983
2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65022448
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine
CID 65022234
5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine
CID 170685631

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine (CID 22329676) is 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine is COc1ccc(-c2nc(Nc3ccc(OC)c(OC)c3)c3c(C)nc(C)n3n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is YDCZRIKBRKLWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O3/c1-12-20-22(25-15-7-9-18(30-4)19(11-15)31-5)26-21(27-28(20)13(2)24-12)14-6-8-17(29-3)16(23)10-14/h6-11H,1-5H3,(H,25,26,27).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine?
2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 439.90 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 22329676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).