N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide

C9H14N6O3S — CID 106339179

IUPACN,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C9H14N6O3S/c1-14(2)19(17,18)4-3-10-7-5-8-12-13-9(16)15(8)6-11-7/h5-6,10H,3-4H2,1-2H3,(H,13,16)
InChIKeyDUBWHGLMONCXRM-UHFFFAOYSA-N
MW286.32 g/mol
LogP-1.28
Rot. Bonds5

About N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide

N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide (PubChem CID 106339179) has the molecular formula C9H14N6O3S and a molecular weight of 286.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide
PubChem CID106339179
Molecular FormulaC9H14N6O3S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C9H14N6O3S/c1-14(2)19(17,18)4-3-10-7-5-8-12-13-9(16)15(8)6-11-7/h5-6,10H,3-4H2,1-2H3,(H,13,16)
InChIKeyDUBWHGLMONCXRM-UHFFFAOYSA-N
XLogP-1.28
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide with MolForge

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Related Compounds

7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 130504227
7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281523
7-(3-methoxypropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281918
7-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282891
7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284455
7-(7-methyloctylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 107816333
7-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106403983
7-(4-imidazol-1-ylbutylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282513
7-[(3-hydroxy-2-methylpropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281743
7-(2-prop-2-ynylsulfanylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106430614
7-[(1-chloro-4-methylpentan-2-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281581
7-(2-pyrrolidin-2-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114794454

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide (CID 106339179) is N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide is CN(C)S(=O)(=O)CCNc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide?
The InChIKey is DUBWHGLMONCXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3S/c1-14(2)19(17,18)4-3-10-7-5-8-12-13-9(16)15(8)6-11-7/h5-6,10H,3-4H2,1-2H3,(H,13,16).
What are the key properties of N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide?
N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide has a molecular weight of 286.32 g/mol, XLogP of -1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide is sourced from PubChem (CID 106339179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).