[4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol

C18H14Cl2N6O3 — CID 22614881

IUPAC[4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol
SMILESCOc1nc2cc(Cl)c(Cl)c(-n3c(CO)nnc3-c3cccnc3)c2nc1OC
InChIInChI=1S/C18H14Cl2N6O3/c1-28-17-18(29-2)23-14-11(22-17)6-10(19)13(20)15(14)26-12(8-27)24-25-16(26)9-4-3-5-21-7-9/h3-7,27H,8H2,1-2H3
InChIKeyXHYOZRVCGMPBNW-UHFFFAOYSA-N
MW433.26 g/mol
LogP3.09
Rot. Bonds5

About [4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol

[4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol (PubChem CID 22614881) has the molecular formula C18H14Cl2N6O3 and a molecular weight of 433.26 g/mol. Its IUPAC name is [4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol
PubChem CID22614881
Molecular FormulaC18H14Cl2N6O3
Molecular Weight433.26 g/mol
Exact Mass432.05
IUPAC Name[4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol
SMILESCOc1nc2cc(Cl)c(Cl)c(-n3c(CO)nnc3-c3cccnc3)c2nc1OC
InChIInChI=1S/C18H14Cl2N6O3/c1-28-17-18(29-2)23-14-11(22-17)6-10(19)13(20)15(14)26-12(8-27)24-25-16(26)9-4-3-5-21-7-9/h3-7,27H,8H2,1-2H3
InChIKeyXHYOZRVCGMPBNW-UHFFFAOYSA-N
XLogP3.09
TPSA108.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

(1S,2R)-1-(5-chloropyrimidin-2-yl)-2-[[4-(2,4-dimethoxy-3-pyridinyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol
CID 158066012
5-chloro-2-[(2S,3R)-3-[[4-(2,4-dimethoxy-3-pyridinyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]butan-2-yl]pyrimidine
CID 158660042
(1R,2S)-1-(5-bromo-6-methyl-2-pyridinyl)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol
CID 146945553
3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine
CID 18726700
2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 648827
6,7-dichloro-2,3-dimethoxy-5-(5-phenyl-2-propyltriazol-4-yl)quinoxaline;6,7-dichloro-2,3-dimethoxy-5-(5-phenyl-2H-triazol-4-yl)quinoxaline
CID 91548563
2-[(2R,3S)-3-[[4-(2,6-difluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]butan-2-yl]-5-methylpyrimidine
CID 153064701
4-(2-chloro-6-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 66254110
5-[3-[[(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidin-3-yl]sulfonylmethyl]-5-pyridin-3-yl-1,2,4-triazol-4-yl]-4,6-dimethoxypyrimidine;5-[3-[[(3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidin-3-yl]sulfonylmethyl]-5-pyridin-3-yl-1,2,4-triazol-4-yl]-4,6-dimethoxypyrimidine
CID 159623740
bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
CID 161380539
2-chloro-4-methoxy-5-pyridin-3-ylpyridine
CID 175166261
propan-2-yl 2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 41377421

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol (CID 22614881) is [4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol is COc1nc2cc(Cl)c(Cl)c(-n3c(CO)nnc3-c3cccnc3)c2nc1OC.
What is the InChIKey of [4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol?
The InChIKey is XHYOZRVCGMPBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N6O3/c1-28-17-18(29-2)23-14-11(22-17)6-10(19)13(20)15(14)26-12(8-27)24-25-16(26)9-4-3-5-21-7-9/h3-7,27H,8H2,1-2H3.
What are the key properties of [4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol?
[4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol has a molecular weight of 433.26 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 22614881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).