N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide

C15H22N6O2S — CID 154582584

IUPACN-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCc1nc2ncnn2c(N2CCC(N(C)S(=O)(=O)C3CC3)C2)c1C
InChIInChI=1S/C15H22N6O2S/c1-10-11(2)18-15-16-9-17-21(15)14(10)20-7-6-12(8-20)19(3)24(22,23)13-4-5-13/h9,12-13H,4-8H2,1-3H3
InChIKeyAERZQZQOWNILQR-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.74
Rot. Bonds4

About N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide

N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide (PubChem CID 154582584) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide
PubChem CID154582584
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC NameN-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCc1nc2ncnn2c(N2CCC(N(C)S(=O)(=O)C3CC3)C2)c1C
InChIInChI=1S/C15H22N6O2S/c1-10-11(2)18-15-16-9-17-21(15)14(10)20-7-6-12(8-20)19(3)24(22,23)13-4-5-13/h9,12-13H,4-8H2,1-3H3
InChIKeyAERZQZQOWNILQR-UHFFFAOYSA-N
XLogP0.74
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methyl-1-phenylmethanesulfonamide
CID 154582766
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 163347900
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 133321302
5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017019
7-[(3R,5S)-3,5-dimethylazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 138053520
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 75395163
7-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97066727
2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole
CID 163344567
[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95346412
[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95346410
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 75379030

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide (CID 154582584) is N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide is Cc1nc2ncnn2c(N2CCC(N(C)S(=O)(=O)C3CC3)C2)c1C.
What is the InChIKey of N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is AERZQZQOWNILQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-10-11(2)18-15-16-9-17-21(15)14(10)20-7-6-12(8-20)19(3)24(22,23)13-4-5-13/h9,12-13H,4-8H2,1-3H3.
What are the key properties of N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide?
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 350.45 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 154582584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).