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

C19H28N6O2 — CID 170243160

IUPAC3-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
SMILESC[C@H]1CC2(C)CC(CC(C)(NC(=O)c3ncn4c(=O)n(C)nnc34)C2)[C@@H]1C
InChIInChI=1S/C19H28N6O2/c1-11-6-18(3)7-13(12(11)2)8-19(4,9-18)21-16(26)14-15-22-23-24(5)17(27)25(15)10-20-14/h10-13H,6-9H2,1-5H3,(H,21,26)/t11-,12+,13?,18?,19?/m0/s1
InChIKeySCMUAZYPCLGCCD-YPVBMZBASA-N
MW372.47 g/mol
LogP1.79
Rot. Bonds2

About 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

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 (PubChem CID 170243160) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID170243160
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name3-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
SMILESC[C@H]1CC2(C)CC(CC(C)(NC(=O)c3ncn4c(=O)n(C)nnc34)C2)[C@@H]1C
InChIInChI=1S/C19H28N6O2/c1-11-6-18(3)7-13(12(11)2)8-19(4,9-18)21-16(26)14-15-22-23-24(5)17(27)25(15)10-20-14/h10-13H,6-9H2,1-5H3,(H,21,26)/t11-,12+,13?,18?,19?/m0/s1
InChIKeySCMUAZYPCLGCCD-YPVBMZBASA-N
XLogP1.79
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1CC2(C)CC(CC(C)(NC(=O)c3ncn4c(=O)n(C)nnc34)C2)[C@@H]1C.
What is the InChIKey of 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?
The InChIKey is SCMUAZYPCLGCCD-YPVBMZBASA-N. The full InChI is InChI=1S/C19H28N6O2/c1-11-6-18(3)7-13(12(11)2)8-19(4,9-18)21-16(26)14-15-22-23-24(5)17(27)25(15)10-20-14/h10-13H,6-9H2,1-5H3,(H,21,26)/t11-,12+,13?,18?,19?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 372.47 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170243160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).