N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C11H16N6O4S — CID 125444260

IUPACN-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)c1ncnn1C
InChIInChI=1S/C11H16N6O4S/c1-6(2)8(9-13-5-14-17(9)3)16-22(20,21)7-4-12-11(19)15-10(7)18/h4-6,8,16H,1-3H3,(H2,12,15,18,19)/t8-/m1/s1
InChIKeyMYRDTLWOYXIERT-MRVPVSSYSA-N
MW328.35 g/mol
LogP-1.13
Rot. Bonds5

About N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 125444260) has the molecular formula C11H16N6O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID125444260
Molecular FormulaC11H16N6O4S
Molecular Weight328.35 g/mol
Exact Mass328.10
IUPAC NameN-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)c1ncnn1C
InChIInChI=1S/C11H16N6O4S/c1-6(2)8(9-13-5-14-17(9)3)16-22(20,21)7-4-12-11(19)15-10(7)18/h4-6,8,16H,1-3H3,(H2,12,15,18,19)/t8-/m1/s1
InChIKeyMYRDTLWOYXIERT-MRVPVSSYSA-N
XLogP-1.13
TPSA142.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide
CID 125447722
1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide
CID 125435592
N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43258966
N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 65192969
N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride
CID 121208905
1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157750
1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
CID 126449011
5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid
CID 43351322
2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 125172462
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid
CID 61262292
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43547502

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 125444260) is N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CC(C)[C@@H](NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)c1ncnn1C.
What is the InChIKey of N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is MYRDTLWOYXIERT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N6O4S/c1-6(2)8(9-13-5-14-17(9)3)16-22(20,21)7-4-12-11(19)15-10(7)18/h4-6,8,16H,1-3H3,(H2,12,15,18,19)/t8-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 328.35 g/mol, XLogP of -1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 125444260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).