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

C9H10N6O3 — CID 64545863

IUPAC2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H10N6O3/c16-7(5-3-11-9(18)14-8(5)17)10-2-1-6-12-4-13-15-6/h3-4H,1-2H2,(H,10,16)(H,12,13,15)(H2,11,14,17,18)
InChIKeyYUVANWSBOQDSHA-UHFFFAOYSA-N
MW250.22 g/mol
LogP-1.85
Rot. Bonds4

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

2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 64545863) has the molecular formula C9H10N6O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide
PubChem CID64545863
Molecular FormulaC9H10N6O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H10N6O3/c16-7(5-3-11-9(18)14-8(5)17)10-2-1-6-12-4-13-15-6/h3-4H,1-2H2,(H,10,16)(H,12,13,15)(H2,11,14,17,18)
InChIKeyYUVANWSBOQDSHA-UHFFFAOYSA-N
XLogP-1.85
TPSA136.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide (CID 64545863) is 2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide is O=C(NCCc1ncn[nH]1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is YUVANWSBOQDSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3/c16-7(5-3-11-9(18)14-8(5)17)10-2-1-6-12-4-13-15-6/h3-4H,1-2H2,(H,10,16)(H,12,13,15)(H2,11,14,17,18).
What are the key properties of 2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide?
2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 250.22 g/mol, XLogP of -1.85, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 64545863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).