1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide

C16H24N6O3S — CID 162521821

IUPAC1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(C(=O)CCc2c(C)nc3ncnn3c2C)C1
InChIInChI=1S/C16H24N6O3S/c1-4-19-26(24,25)13-7-8-21(9-13)15(23)6-5-14-11(2)20-16-17-10-18-22(16)12(14)3/h10,13,19H,4-9H2,1-3H3
InChIKeyNSIOSMQCYYJHDU-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.21
Rot. Bonds6

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

1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide (PubChem CID 162521821) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide
PubChem CID162521821
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC Name1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(C(=O)CCc2c(C)nc3ncnn3c2C)C1
InChIInChI=1S/C16H24N6O3S/c1-4-19-26(24,25)13-7-8-21(9-13)15(23)6-5-14-11(2)20-16-17-10-18-22(16)12(14)3/h10,13,19H,4-9H2,1-3H3
InChIKeyNSIOSMQCYYJHDU-UHFFFAOYSA-N
XLogP0.21
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 46654351
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18153001
4-[(3R)-1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136816938
1-[(3R,4R)-1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 155494122
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70740634
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 91830846
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[6-(hydroxymethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 70758000
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)propan-1-one
CID 171907167
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-propyl-1,4-diazepan-1-yl)propan-1-one
CID 56800806
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157120
N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20863538
1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide
CID 169416827

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide (CID 162521821) is 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCN(C(=O)CCc2c(C)nc3ncnn3c2C)C1.
What is the InChIKey of 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide?
The InChIKey is NSIOSMQCYYJHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-4-19-26(24,25)13-7-8-21(9-13)15(23)6-5-14-11(2)20-16-17-10-18-22(16)12(14)3/h10,13,19H,4-9H2,1-3H3.
What are the key properties of 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide?
1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide has a molecular weight of 380.47 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 162521821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).