1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide

C11H15N7O3 — CID 79371593

IUPAC1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide
SMILESCOc1nc(C)cc(=O)n1CCn1cc(C(=O)NN)nn1
InChIInChI=1S/C11H15N7O3/c1-7-5-9(19)18(11(13-7)21-2)4-3-17-6-8(15-16-17)10(20)14-12/h5-6H,3-4,12H2,1-2H3,(H,14,20)
InChIKeyQVQZMWOMWVTGFK-UHFFFAOYSA-N
MW293.29 g/mol
LogP-1.54
Rot. Bonds5

About 1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide

1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide (PubChem CID 79371593) has the molecular formula C11H15N7O3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide
PubChem CID79371593
Molecular FormulaC11H15N7O3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide
SMILESCOc1nc(C)cc(=O)n1CCn1cc(C(=O)NN)nn1
InChIInChI=1S/C11H15N7O3/c1-7-5-9(19)18(11(13-7)21-2)4-3-17-6-8(15-16-17)10(20)14-12/h5-6H,3-4,12H2,1-2H3,(H,14,20)
InChIKeyQVQZMWOMWVTGFK-UHFFFAOYSA-N
XLogP-1.54
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide (CID 79371593) is 1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide is COc1nc(C)cc(=O)n1CCn1cc(C(=O)NN)nn1.
What is the InChIKey of 1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide?
The InChIKey is QVQZMWOMWVTGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O3/c1-7-5-9(19)18(11(13-7)21-2)4-3-17-6-8(15-16-17)10(20)14-12/h5-6H,3-4,12H2,1-2H3,(H,14,20).
What are the key properties of 1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide?
1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide has a molecular weight of 293.29 g/mol, XLogP of -1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 79371593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).