3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide

C14H15N5O4S — CID 70459393

IUPAC3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)C)ccc1-c1cn2cn[nH]c(=O)c2n1
InChIInChI=1S/C14H15N5O4S/c1-18(2)24(21,22)9-4-5-10(12(6-9)23-3)11-7-19-8-15-17-14(20)13(19)16-11/h4-8H,1-3H3,(H,17,20)
InChIKeyRCJUPOOGJQIAHC-UHFFFAOYSA-N
MW349.37 g/mol
LogP0.34
Rot. Bonds4

About 3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide

3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide (PubChem CID 70459393) has the molecular formula C14H15N5O4S and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide
PubChem CID70459393
Molecular FormulaC14H15N5O4S
Molecular Weight349.37 g/mol
Exact Mass349.08
IUPAC Name3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)C)ccc1-c1cn2cn[nH]c(=O)c2n1
InChIInChI=1S/C14H15N5O4S/c1-18(2)24(21,22)9-4-5-10(12(6-9)23-3)11-7-19-8-15-17-14(20)13(19)16-11/h4-8H,1-3H3,(H,17,20)
InChIKeyRCJUPOOGJQIAHC-UHFFFAOYSA-N
XLogP0.34
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide (CID 70459393) is 3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide is COc1cc(S(=O)(=O)N(C)C)ccc1-c1cn2cn[nH]c(=O)c2n1.
What is the InChIKey of 3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide?
The InChIKey is RCJUPOOGJQIAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4S/c1-18(2)24(21,22)9-4-5-10(12(6-9)23-3)11-7-19-8-15-17-14(20)13(19)16-11/h4-8H,1-3H3,(H,17,20).
What are the key properties of 3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide?
3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide has a molecular weight of 349.37 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-dimethyl-4-(8-oxo-7H-imidazo[1,2-d][1,2,4]triazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 70459393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).