2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

C16H16N6O3 — CID 131890632

IUPAC2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C16H16N6O3/c1-10-13(15(24)21-16(25)20-10)6-14(23)18-7-11-2-4-12(5-3-11)22-9-17-8-19-22/h2-5,8-9H,6-7H2,1H3,(H,18,23)(H2,20,21,24,25)
InChIKeyARVLZZSMNIYSJO-UHFFFAOYSA-N
MW340.34 g/mol
LogP-0.19
Rot. Bonds5

About 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 131890632) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
PubChem CID131890632
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C16H16N6O3/c1-10-13(15(24)21-16(25)20-10)6-14(23)18-7-11-2-4-12(5-3-11)22-9-17-8-19-22/h2-5,8-9H,6-7H2,1H3,(H,18,23)(H2,20,21,24,25)
InChIKeyARVLZZSMNIYSJO-UHFFFAOYSA-N
XLogP-0.19
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 131890632) is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is ARVLZZSMNIYSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-10-13(15(24)21-16(25)20-10)6-14(23)18-7-11-2-4-12(5-3-11)22-9-17-8-19-22/h2-5,8-9H,6-7H2,1H3,(H,18,23)(H2,20,21,24,25).
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 340.34 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 131890632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).