1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide

C15H22N6O4 — CID 155555752

IUPAC1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide
SMILESCc1cc(=O)n(C)c(=O)n1CCCCCCn1cnc(C(=O)NO)n1
InChIInChI=1S/C15H22N6O4/c1-11-9-12(22)19(2)15(24)21(11)8-6-4-3-5-7-20-10-16-13(17-20)14(23)18-25/h9-10,25H,3-8H2,1-2H3,(H,18,23)
InChIKeyJHMVJWUKEQFLDA-UHFFFAOYSA-N
MW350.38 g/mol
LogP-0.17
Rot. Bonds8

About 1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide

1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide (PubChem CID 155555752) has the molecular formula C15H22N6O4 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide
PubChem CID155555752
Molecular FormulaC15H22N6O4
Molecular Weight350.38 g/mol
Exact Mass350.17
IUPAC Name1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide
SMILESCc1cc(=O)n(C)c(=O)n1CCCCCCn1cnc(C(=O)NO)n1
InChIInChI=1S/C15H22N6O4/c1-11-9-12(22)19(2)15(24)21(11)8-6-4-3-5-7-20-10-16-13(17-20)14(23)18-25/h9-10,25H,3-8H2,1-2H3,(H,18,23)
InChIKeyJHMVJWUKEQFLDA-UHFFFAOYSA-N
XLogP-0.17
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide (CID 155555752) is 1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide is Cc1cc(=O)n(C)c(=O)n1CCCCCCn1cnc(C(=O)NO)n1.
What is the InChIKey of 1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide?
The InChIKey is JHMVJWUKEQFLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O4/c1-11-9-12(22)19(2)15(24)21(11)8-6-4-3-5-7-20-10-16-13(17-20)14(23)18-25/h9-10,25H,3-8H2,1-2H3,(H,18,23).
What are the key properties of 1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide?
1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl]-N-hydroxy-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 155555752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).