N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C11H14N6O3 — CID 64511259

IUPACN-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C11H14N6O3/c1-15(5-8-12-7-13-14-8)10(19)6-17-4-3-9(18)16(2)11(17)20/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyHACWYJUYQZEJEC-UHFFFAOYSA-N
MW278.27 g/mol
LogP-1.68
Rot. Bonds4

About N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 64511259) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID64511259
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC NameN-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C11H14N6O3/c1-15(5-8-12-7-13-14-8)10(19)6-17-4-3-9(18)16(2)11(17)20/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyHACWYJUYQZEJEC-UHFFFAOYSA-N
XLogP-1.68
TPSA105.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 64511259) is N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CN(Cc1ncn[nH]1)C(=O)Cn1ccc(=O)n(C)c1=O.
What is the InChIKey of N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is HACWYJUYQZEJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-15(5-8-12-7-13-14-8)10(19)6-17-4-3-9(18)16(2)11(17)20/h3-4,7H,5-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 278.27 g/mol, XLogP of -1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64511259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).