2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C9H10N6O3 — CID 54884856

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCc1ncn[nH]1
InChIInChI=1S/C9H10N6O3/c16-7(10-3-6-11-4-12-15-6)1-5-2-8(17)14-9(18)13-5/h2,4H,1,3H2,(H,10,16)(H,11,12,15)(H2,13,14,17,18)
InChIKeyPOOZCIKBMAYHQB-UHFFFAOYSA-N
MW250.22 g/mol
LogP-1.96
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54884856) has the molecular formula C9H10N6O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54884856
Molecular FormulaC9H10N6O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCc1ncn[nH]1
InChIInChI=1S/C9H10N6O3/c16-7(10-3-6-11-4-12-15-6)1-5-2-8(17)14-9(18)13-5/h2,4H,1,3H2,(H,10,16)(H,11,12,15)(H2,13,14,17,18)
InChIKeyPOOZCIKBMAYHQB-UHFFFAOYSA-N
XLogP-1.96
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 ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54884856) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCc1ncn[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is POOZCIKBMAYHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3/c16-7(10-3-6-11-4-12-15-6)1-5-2-8(17)14-9(18)13-5/h2,4H,1,3H2,(H,10,16)(H,11,12,15)(H2,13,14,17,18).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 250.22 g/mol, XLogP of -1.96, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54884856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).