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

C12H16N6O3 — CID 64511779

IUPACN-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)Cn2ccc(=O)n(C)c2=O)n[nH]1
InChIInChI=1S/C12H16N6O3/c1-8-13-9(15-14-8)6-16(2)11(20)7-18-5-4-10(19)17(3)12(18)21/h4-5H,6-7H2,1-3H3,(H,13,14,15)
InChIKeyZLGYOUWXIQSOOE-UHFFFAOYSA-N
MW292.30 g/mol
LogP-1.37
Rot. Bonds4

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

N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 64511779) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID64511779
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC NameN-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)Cn2ccc(=O)n(C)c2=O)n[nH]1
InChIInChI=1S/C12H16N6O3/c1-8-13-9(15-14-8)6-16(2)11(20)7-18-5-4-10(19)17(3)12(18)21/h4-5H,6-7H2,1-3H3,(H,13,14,15)
InChIKeyZLGYOUWXIQSOOE-UHFFFAOYSA-N
XLogP-1.37
TPSA105.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-1.37
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-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 64511779) is N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is Cc1nc(CN(C)C(=O)Cn2ccc(=O)n(C)c2=O)n[nH]1.
What is the InChIKey of N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is ZLGYOUWXIQSOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-8-13-9(15-14-8)6-16(2)11(20)7-18-5-4-10(19)17(3)12(18)21/h4-5H,6-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 292.30 g/mol, XLogP of -1.37, 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-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 64511779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).