N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide

C19H24N6O3S — CID 134512277

IUPACN-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCC2CC2)c(-c2cn(C)c(=O)c3nn(C)nc23)c1
InChIInChI=1S/C19H24N6O3S/c1-4-29(27,28)23-13-7-8-16(20-10-12-5-6-12)14(9-13)15-11-24(2)19(26)18-17(15)21-25(3)22-18/h7-9,11-12,20,23H,4-6,10H2,1-3H3
InChIKeyNJIXELIYIKRZRI-UHFFFAOYSA-N
MW416.51 g/mol
LogP1.92
Rot. Bonds7

About N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide

N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide (PubChem CID 134512277) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide
PubChem CID134512277
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC NameN-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCC2CC2)c(-c2cn(C)c(=O)c3nn(C)nc23)c1
InChIInChI=1S/C19H24N6O3S/c1-4-29(27,28)23-13-7-8-16(20-10-12-5-6-12)14(9-13)15-11-24(2)19(26)18-17(15)21-25(3)22-18/h7-9,11-12,20,23H,4-6,10H2,1-3H3
InChIKeyNJIXELIYIKRZRI-UHFFFAOYSA-N
XLogP1.92
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide (CID 134512277) is N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NCC2CC2)c(-c2cn(C)c(=O)c3nn(C)nc23)c1.
What is the InChIKey of N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide?
The InChIKey is NJIXELIYIKRZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-4-29(27,28)23-13-7-8-16(20-10-12-5-6-12)14(9-13)15-11-24(2)19(26)18-17(15)21-25(3)22-18/h7-9,11-12,20,23H,4-6,10H2,1-3H3.
What are the key properties of N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide?
N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide has a molecular weight of 416.51 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethylamino)-3-(2,5-dimethyl-4-oxotriazolo[4,5-c]pyridin-7-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 134512277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).