N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

C16H17ClN4O3S — CID 53176251

IUPACN-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cn12
InChIInChI=1S/C16H17ClN4O3S/c1-3-15-18-21(4-2)16(22)14-9-13(10-20(14)15)25(23,24)19-12-7-5-11(17)6-8-12/h5-10,19H,3-4H2,1-2H3
InChIKeyZTRFGGRJGMZFTR-UHFFFAOYSA-N
MW380.86 g/mol
LogP2.53
Rot. Bonds5

About N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 53176251) has the molecular formula C16H17ClN4O3S and a molecular weight of 380.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID53176251
Molecular FormulaC16H17ClN4O3S
Molecular Weight380.86 g/mol
Exact Mass380.07
IUPAC NameN-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cn12
InChIInChI=1S/C16H17ClN4O3S/c1-3-15-18-21(4-2)16(22)14-9-13(10-20(14)15)25(23,24)19-12-7-5-11(17)6-8-12/h5-10,19H,3-4H2,1-2H3
InChIKeyZTRFGGRJGMZFTR-UHFFFAOYSA-N
XLogP2.53
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 53176251) is N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is CCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cn12.
What is the InChIKey of N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is ZTRFGGRJGMZFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3S/c1-3-15-18-21(4-2)16(22)14-9-13(10-20(14)15)25(23,24)19-12-7-5-11(17)6-8-12/h5-10,19H,3-4H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 380.86 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 53176251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).