N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide

C14H22N6O3S — CID 43958037

IUPACN-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1nnc2ccc(NCC3CCCO3)nn12
InChIInChI=1S/C14H22N6O3S/c1-2-24(21,22)16-8-7-14-18-17-13-6-5-12(19-20(13)14)15-10-11-4-3-9-23-11/h5-6,11,16H,2-4,7-10H2,1H3,(H,15,19)
InChIKeyRTAJEMMZBBAWEU-UHFFFAOYSA-N
MW354.44 g/mol
LogP0.20
Rot. Bonds8

About N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide

N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide (PubChem CID 43958037) has the molecular formula C14H22N6O3S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide
PubChem CID43958037
Molecular FormulaC14H22N6O3S
Molecular Weight354.44 g/mol
Exact Mass354.15
IUPAC NameN-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1nnc2ccc(NCC3CCCO3)nn12
InChIInChI=1S/C14H22N6O3S/c1-2-24(21,22)16-8-7-14-18-17-13-6-5-12(19-20(13)14)15-10-11-4-3-9-23-11/h5-6,11,16H,2-4,7-10H2,1H3,(H,15,19)
InChIKeyRTAJEMMZBBAWEU-UHFFFAOYSA-N
XLogP0.20
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide
CID 43958023
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 20903947
6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 25041317
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(3-propyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide
CID 41074915
N-[2-[6-[3-(diethylamino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
CID 43958096
N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
CID 43958110
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
N-[2-[6-(3-ethoxypropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzenesulfonamide
CID 43957938
2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886716
3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 127922082

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide (CID 43958037) is N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1nnc2ccc(NCC3CCCO3)nn12.
What is the InChIKey of N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide?
The InChIKey is RTAJEMMZBBAWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O3S/c1-2-24(21,22)16-8-7-14-18-17-13-6-5-12(19-20(13)14)15-10-11-4-3-9-23-11/h5-6,11,16H,2-4,7-10H2,1H3,(H,15,19).
What are the key properties of N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide?
N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 43958037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).