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

C10H14N6O2 — CID 21080156

IUPAC3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCC(C)CNC(=O)c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C10H14N6O2/c1-6(2)4-11-9(17)7-8-13-14-15(3)10(18)16(8)5-12-7/h5-6H,4H2,1-3H3,(H,11,17)
InChIKeyMICAYLQNNOHRNW-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.79
Rot. Bonds3

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

3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 21080156) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID21080156
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCC(C)CNC(=O)c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C10H14N6O2/c1-6(2)4-11-9(17)7-8-13-14-15(3)10(18)16(8)5-12-7/h5-6H,4H2,1-3H3,(H,11,17)
InChIKeyMICAYLQNNOHRNW-UHFFFAOYSA-N
XLogP-0.79
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[[(3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl)amino]methyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 10763498
N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 178130242
3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 166960747
3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide
CID 10954410
8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
CID 58608838
3-methyl-4-oxo-N-(4-oxohex-5-enyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 148722507
2-hydroxybutanedioic acid;bis(3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide)
CID 139255222
N'-[5,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanoyl]-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbohydrazide
CID 130466646
3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 166960744
[2-fluoro-3-[(3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl)amino]phenyl]methyl formate
CID 169074279
N-(3-chloro-5-sulfamoylcyclohexyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 166960864
3-methyl-4-oxo-N-[(6R,7S)-1,3,6,7-tetramethyl-3-bicyclo[3.3.1]nonanyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 170243160

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 21080156) is 3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is CC(C)CNC(=O)c1ncn2c(=O)n(C)nnc12.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is MICAYLQNNOHRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-6(2)4-11-9(17)7-8-13-14-15(3)10(18)16(8)5-12-7/h5-6H,4H2,1-3H3,(H,11,17).
What are the key properties of 3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 21080156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).