N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide

C6H8N4O3 — CID 15054426

IUPACN,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
SMILESCNC(=O)c1n[nH]c(=O)n(C)c1=O
InChIInChI=1S/C6H8N4O3/c1-7-4(11)3-5(12)10(2)6(13)9-8-3/h1-2H3,(H,7,11)(H,9,13)
InChIKeyHLPMNHWTVSOSGE-UHFFFAOYSA-N
MW184.15 g/mol
LogP-2.17
Rot. Bonds1

About N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide

N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide (PubChem CID 15054426) has the molecular formula C6H8N4O3 and a molecular weight of 184.15 g/mol. Its IUPAC name is N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
PubChem CID15054426
Molecular FormulaC6H8N4O3
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC NameN,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
SMILESCNC(=O)c1n[nH]c(=O)n(C)c1=O
InChIInChI=1S/C6H8N4O3/c1-7-4(11)3-5(12)10(2)6(13)9-8-3/h1-2H3,(H,7,11)(H,9,13)
InChIKeyHLPMNHWTVSOSGE-UHFFFAOYSA-N
XLogP-2.17
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-2.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The IUPAC name of N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide (CID 15054426) is N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide is CNC(=O)c1n[nH]c(=O)n(C)c1=O.
What is the InChIKey of N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The InChIKey is HLPMNHWTVSOSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-7-4(11)3-5(12)10(2)6(13)9-8-3/h1-2H3,(H,7,11)(H,9,13).
What are the key properties of N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide has a molecular weight of 184.15 g/mol, XLogP of -2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 15054426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).