4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide

C13H14N6O3 — CID 154787253

IUPAC4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CC(=O)N(C)C(=O)C3)cn2n1
InChIInChI=1S/C13H14N6O3/c1-8-14-10-4-3-9(5-19(10)16-8)15-13(22)18-6-11(20)17(2)12(21)7-18/h3-5H,6-7H2,1-2H3,(H,15,22)
InChIKeyLSSRFYHMVNONEM-UHFFFAOYSA-N
MW302.29 g/mol
LogP-0.13
Rot. Bonds1

About 4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide

4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide (PubChem CID 154787253) has the molecular formula C13H14N6O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide
PubChem CID154787253
Molecular FormulaC13H14N6O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CC(=O)N(C)C(=O)C3)cn2n1
InChIInChI=1S/C13H14N6O3/c1-8-14-10-4-3-9(5-19(10)16-8)15-13(22)18-6-11(20)17(2)12(21)7-18/h3-5H,6-7H2,1-2H3,(H,15,22)
InChIKeyLSSRFYHMVNONEM-UHFFFAOYSA-N
XLogP-0.13
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide
CID 167811800
(2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide
CID 125145251
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 128707268
1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 167761793
3-(2,3-dihydroindol-1-yl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanamide
CID 154842366
2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one
CID 112713257
ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one
CID 171811240
N-(4-chlorophenyl)-3-methyl-4-oxoimidazolidine-1-carboxamide
CID 135143194
4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 64695553
3-methyl-N-[4-(4-methylphenoxy)phenyl]-4-oxoimidazolidine-1-carboxamide
CID 136530574
3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanoic acid
CID 83836917
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide (CID 154787253) is 4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide is Cc1nc2ccc(NC(=O)N3CC(=O)N(C)C(=O)C3)cn2n1.
What is the InChIKey of 4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide?
The InChIKey is LSSRFYHMVNONEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O3/c1-8-14-10-4-3-9(5-19(10)16-8)15-13(22)18-6-11(20)17(2)12(21)7-18/h3-5H,6-7H2,1-2H3,(H,15,22).
What are the key properties of 4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide?
4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide has a molecular weight of 302.29 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 154787253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).