3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide

C14H14N6O4 — CID 121025950

IUPAC3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCn1cncn1)c1c[nH]c(=O)n(Cc2ccco2)c1=O
InChIInChI=1S/C14H14N6O4/c21-12(16-3-4-19-9-15-8-18-19)11-6-17-14(23)20(13(11)22)7-10-2-1-5-24-10/h1-2,5-6,8-9H,3-4,7H2,(H,16,21)(H,17,23)
InChIKeySYWQIUQVYXKWJE-UHFFFAOYSA-N
MW330.30 g/mol
LogP-0.80
Rot. Bonds6

About 3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide

3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 121025950) has the molecular formula C14H14N6O4 and a molecular weight of 330.30 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
PubChem CID121025950
Molecular FormulaC14H14N6O4
Molecular Weight330.30 g/mol
Exact Mass330.11
IUPAC Name3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCn1cncn1)c1c[nH]c(=O)n(Cc2ccco2)c1=O
InChIInChI=1S/C14H14N6O4/c21-12(16-3-4-19-9-15-8-18-19)11-6-17-14(23)20(13(11)22)7-10-2-1-5-24-10/h1-2,5-6,8-9H,3-4,7H2,(H,16,21)(H,17,23)
InChIKeySYWQIUQVYXKWJE-UHFFFAOYSA-N
XLogP-0.80
TPSA127.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025792
N-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025715
3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025732
3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025951
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025863
3-(furan-2-ylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778379
3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025718
N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide
CID 121025932
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025706
5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025767
N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025966

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide (CID 121025950) is 3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide is O=C(NCCn1cncn1)c1c[nH]c(=O)n(Cc2ccco2)c1=O.
What is the InChIKey of 3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is SYWQIUQVYXKWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O4/c21-12(16-3-4-19-9-15-8-18-19)11-6-17-14(23)20(13(11)22)7-10-2-1-5-24-10/h1-2,5-6,8-9H,3-4,7H2,(H,16,21)(H,17,23).
What are the key properties of 3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 330.30 g/mol, XLogP of -0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).