N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide

C13H13N5O5S — CID 70460351

IUPACN-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1-c1cn2[nH]c(=O)[nH]c(=O)c2n1
InChIInChI=1S/C13H13N5O5S/c1-23-10-5-7(17-24(2,21)22)3-4-8(10)9-6-18-11(14-9)12(19)15-13(20)16-18/h3-6,17H,1-2H3,(H2,15,16,19,20)
InChIKeyYOXLXYMKQMKCAC-UHFFFAOYSA-N
MW351.34 g/mol
LogP-0.24
Rot. Bonds4

About N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide

N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide (PubChem CID 70460351) has the molecular formula C13H13N5O5S and a molecular weight of 351.34 g/mol. Its IUPAC name is N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide
PubChem CID70460351
Molecular FormulaC13H13N5O5S
Molecular Weight351.34 g/mol
Exact Mass351.06
IUPAC NameN-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1-c1cn2[nH]c(=O)[nH]c(=O)c2n1
InChIInChI=1S/C13H13N5O5S/c1-23-10-5-7(17-24(2,21)22)3-4-8(10)9-6-18-11(14-9)12(19)15-13(20)16-18/h3-6,17H,1-2H3,(H2,15,16,19,20)
InChIKeyYOXLXYMKQMKCAC-UHFFFAOYSA-N
XLogP-0.24
TPSA138.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide with MolForge

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Related Compounds

[3-methoxy-4-(4-oxo-3H-imidazo[2,1-f][1,2,4]triazin-6-yl)phenyl] methanesulfonate
CID 151059824
3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide
CID 70459393
N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide
CID 70483146
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide
CID 113048905
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
CID 21097532
2-(2-methoxy-4-methylsulfinylphenyl)-7H-imidazo[1,2-d][1,2,4]triazin-8-one
CID 70460164
N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 67609910
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
N-(1-methoxy-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide
CID 10177943
N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10223102
[5-(methanesulfonamido)-2-methoxyphenyl] 3-aminopropanoate
CID 70612631

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide (CID 70460351) is N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)ccc1-c1cn2[nH]c(=O)[nH]c(=O)c2n1.
What is the InChIKey of N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide?
The InChIKey is YOXLXYMKQMKCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O5S/c1-23-10-5-7(17-24(2,21)22)3-4-8(10)9-6-18-11(14-9)12(19)15-13(20)16-18/h3-6,17H,1-2H3,(H2,15,16,19,20).
What are the key properties of N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide?
N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide has a molecular weight of 351.34 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dioxo-1H-imidazo[2,1-f][1,2,4]triazin-6-yl)-3-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 70460351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).