3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C15H24N6O2 — CID 166960747

IUPAC3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCCCCCCCCCNC(=O)c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C15H24N6O2/c1-3-4-5-6-7-8-9-10-16-14(22)12-13-18-19-20(2)15(23)21(13)11-17-12/h11H,3-10H2,1-2H3,(H,16,22)
InChIKeyFFAWJYXZTUVOND-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.30
Rot. Bonds9

About 3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 166960747) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID166960747
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCCCCCCCCCNC(=O)c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C15H24N6O2/c1-3-4-5-6-7-8-9-10-16-14(22)12-13-18-19-20(2)15(23)21(13)11-17-12/h11H,3-10H2,1-2H3,(H,16,22)
InChIKeyFFAWJYXZTUVOND-UHFFFAOYSA-N
XLogP1.30
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-oxo-N-(4-oxohex-5-enyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 148722507
N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 178130242
3-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 134357723
N,3-dimethyl-N-[(9Z,12Z)-octadeca-9,12-dienoyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;ethane;methyl formate
CID 145138628
1-methyl-3-(octadecylcarbamoyl)pyrazole-4-carboxylic acid
CID 19496514
4-chloro-N-hexyl-1,3-dimethylpyrazole-5-carboxamide
CID 19476881
3-methyl-4-oxo-8-[[3-sulfamoyl-5-(sulfinoamino)cyclohexyl]carbamoyl]imidazo[5,1-d][1,2,3,5]tetrazine
CID 169074315
3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 166960744
3-N-dodecylpyrazine-2,3-dicarboxamide
CID 66771838
4-bromo-1,5-dimethyl-N-octadecylpyrazole-3-carboxamide
CID 19266131
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
ethyl 1-methyl-3-(octadecylcarbamoyl)pyrazole-5-carboxylate
CID 19266999

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 166960747) is 3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is CCCCCCCCCNC(=O)c1ncn2c(=O)n(C)nnc12.
What is the InChIKey of 3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is FFAWJYXZTUVOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-3-4-5-6-7-8-9-10-16-14(22)12-13-18-19-20(2)15(23)21(13)11-17-12/h11H,3-10H2,1-2H3,(H,16,22).
What are the key properties of 3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 1.30, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 166960747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).