4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine

C12H17N5O3S — CID 672106

IUPAC4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine
SMILESCc1nc2nc(S(=O)(=O)N3CCOCC3)nn2c(C)c1C
InChIInChI=1S/C12H17N5O3S/c1-8-9(2)13-11-14-12(15-17(11)10(8)3)21(18,19)16-4-6-20-7-5-16/h4-7H2,1-3H3
InChIKeyNLYNQMSLQBYDRI-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.07
Rot. Bonds2

About 4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine

4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine (PubChem CID 672106) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine
PubChem CID672106
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine
SMILESCc1nc2nc(S(=O)(=O)N3CCOCC3)nn2c(C)c1C
InChIInChI=1S/C12H17N5O3S/c1-8-9(2)13-11-14-12(15-17(11)10(8)3)21(18,19)16-4-6-20-7-5-16/h4-7H2,1-3H3
InChIKeyNLYNQMSLQBYDRI-UHFFFAOYSA-N
XLogP0.07
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,6,7-trimethyl-N,N-dipropyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 706958
5,6,7-Trimethyl-2-(piperidin-1-ylsulfonyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 755820
5,6,7-trimethyl-N-(3-methylbutyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 755822
5,6,7-Trimethyl-2-[(4-methylpiperidin-1-yl)sulfonyl][1,2,4]triazolo[1,5-a]pyrimidine
CID 4044358
N,N-diethyl-5,6,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 4211849
5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 4234556
5,6,7-Trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 600789
5,6,7-Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonic acid diallylamide
CID 706955
N-(2-hydroxyethyl)-N,5,6,7-tetramethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 706960
4-{6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}morpholine
CID 53017038
5,6,7-Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
CID 14155105
1-(2,6-Dimethylmorpholin-4-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone
CID 60519748

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine?
The IUPAC name of 4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine (CID 672106) is 4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine?
The canonical SMILES for 4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine is Cc1nc2nc(S(=O)(=O)N3CCOCC3)nn2c(C)c1C.
What is the InChIKey of 4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine?
The InChIKey is NLYNQMSLQBYDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-8-9(2)13-11-14-12(15-17(11)10(8)3)21(18,19)16-4-6-20-7-5-16/h4-7H2,1-3H3.
What are the key properties of 4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine?
4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine has a molecular weight of 311.37 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]morpholine is sourced from PubChem (CID 672106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).