2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide

C13H18N6O4 — CID 90648484

IUPAC2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESCOCCn1cnnc1C(C)NC(=O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H18N6O4/c1-8(11-18-15-7-19(11)3-4-23-2)16-10(20)5-9-6-14-13(22)17-12(9)21/h6-8H,3-5H2,1-2H3,(H,16,20)(H2,14,17,21,22)
InChIKeyWFLJZOZYSQXTRF-UHFFFAOYSA-N
MW322.33 g/mol
LogP-1.28
Rot. Bonds7

About 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide

2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide (PubChem CID 90648484) has the molecular formula C13H18N6O4 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
PubChem CID90648484
Molecular FormulaC13H18N6O4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESCOCCn1cnnc1C(C)NC(=O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H18N6O4/c1-8(11-18-15-7-19(11)3-4-23-2)16-10(20)5-9-6-14-13(22)17-12(9)21/h6-8H,3-5H2,1-2H3,(H,16,20)(H2,14,17,21,22)
InChIKeyWFLJZOZYSQXTRF-UHFFFAOYSA-N
XLogP-1.28
TPSA134.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide (CID 90648484) is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide is COCCn1cnnc1C(C)NC(=O)Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The InChIKey is WFLJZOZYSQXTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O4/c1-8(11-18-15-7-19(11)3-4-23-2)16-10(20)5-9-6-14-13(22)17-12(9)21/h6-8H,3-5H2,1-2H3,(H,16,20)(H2,14,17,21,22).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide has a molecular weight of 322.33 g/mol, XLogP of -1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 90648484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).