(2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate

C13H15N5O3 — CID 166960614

IUPAC(2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
SMILESCC1CCC2CC12OC(=O)c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C13H15N5O3/c1-7-3-4-8-5-13(7,8)21-11(19)9-10-15-16-17(2)12(20)18(10)6-14-9/h6-8H,3-5H2,1-2H3
InChIKeyOPMJHRSPMFGOFC-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.17
Rot. Bonds2

About (2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate

(2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate (PubChem CID 166960614) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is (2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate.

Molecular Properties

Compound Name(2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
PubChem CID166960614
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name(2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
SMILESCC1CCC2CC12OC(=O)c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C13H15N5O3/c1-7-3-4-8-5-13(7,8)21-11(19)9-10-15-16-17(2)12(20)18(10)6-14-9/h6-8H,3-5H2,1-2H3
InChIKeyOPMJHRSPMFGOFC-UHFFFAOYSA-N
XLogP0.17
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate with MolForge

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Related Compounds

1-tricyclo[4.3.1.13,8]undecanyl 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
CID 170243161
1-adamantyl 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
CID 166960634
(2,4-difluorocyclobutyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
CID 170243001
[2-(trifluoromethyl)cyclobutyl] 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
CID 166960666
8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
CID 58608838
3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide
CID 10954410
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate
CID 69172078
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioamide
CID 3352880
N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 178130242
(3-fluorocyclopentyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate;yttrium
CID 169074267
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
6-methylheptyl 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
CID 11709309

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate?
The IUPAC name of (2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate (CID 166960614) is (2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate.
What is the SMILES notation for (2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate?
The canonical SMILES for (2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate is CC1CCC2CC12OC(=O)c1ncn2c(=O)n(C)nnc12.
What is the InChIKey of (2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate?
The InChIKey is OPMJHRSPMFGOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-7-3-4-8-5-13(7,8)21-11(19)9-10-15-16-17(2)12(20)18(10)6-14-9/h6-8H,3-5H2,1-2H3.
What are the key properties of (2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate?
(2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate has a molecular weight of 289.30 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-bicyclo[3.1.0]hexanyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate is sourced from PubChem (CID 166960614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).