N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

C13H18N6O3 — CID 72893999

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCCn1cnnc1CCNC(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H18N6O3/c1-4-19-8-15-16-10(19)5-6-14-12(21)9-7-11(20)18(3)13(22)17(9)2/h7-8H,4-6H2,1-3H3,(H,14,21)
InChIKeyOKMSMLFZEPQADN-UHFFFAOYSA-N
MW306.33 g/mol
LogP-1.33
Rot. Bonds5

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 72893999) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID72893999
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCCn1cnnc1CCNC(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H18N6O3/c1-4-19-8-15-16-10(19)5-6-14-12(21)9-7-11(20)18(3)13(22)17(9)2/h7-8H,4-6H2,1-3H3,(H,14,21)
InChIKeyOKMSMLFZEPQADN-UHFFFAOYSA-N
XLogP-1.33
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide with MolForge

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Related Compounds

1-[4-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)butyl]-N-hydroxy-1,2,4-triazole-3-carboxamide
CID 155515669
5-hydroxy-N-[1-(4-propyl-4H-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 91784015
5-hydroxy-N-[1-(1-methyl-1H-1,2,4-triazol-5-yl)propyl]pyrazine-2-carboxamide
CID 91790472
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 95198433
3-methyl-2-oxo-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
CID 138034566
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-cyano-1,2,4-triazol-4-yl)-N-ethylacetamide
CID 16388261
N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide
CID 70217179
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-cyano-1,2,4-triazol-1-yl)-N-ethylacetamide
CID 25962223
N-(5-ethyl-1-methyl-1H-1,2,4-triazol-3-yl)-2-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]acetamide
CID 29258649
N-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1(6H)-yl)acetamide
CID 30936360
1,3-Dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 43702843
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 45215701

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (CID 72893999) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is CCn1cnnc1CCNC(=O)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is OKMSMLFZEPQADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-4-19-8-15-16-10(19)5-6-14-12(21)9-7-11(20)18(3)13(22)17(9)2/h7-8H,4-6H2,1-3H3,(H,14,21).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 306.33 g/mol, XLogP of -1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 72893999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).