5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene

C19H14N6 — CID 56589498

IUPAC5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
SMILESCc1cc2nc3c(-c4cnccn4)c4cnccn4c3nc2cc1C
InChIInChI=1S/C19H14N6/c1-11-7-13-14(8-12(11)2)24-19-18(23-13)17(15-9-20-3-4-22-15)16-10-21-5-6-25(16)19/h3-10H,1-2H3
InChIKeyRXVMWHUICWQPEU-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.50
Rot. Bonds1

About 5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene

5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene (PubChem CID 56589498) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene.

Molecular Properties

Compound Name5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
PubChem CID56589498
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
SMILESCc1cc2nc3c(-c4cnccn4)c4cnccn4c3nc2cc1C
InChIInChI=1S/C19H14N6/c1-11-7-13-14(8-12(11)2)24-19-18(23-13)17(15-9-20-3-4-22-15)16-10-21-5-6-25(16)19/h3-10H,1-2H3
InChIKeyRXVMWHUICWQPEU-UHFFFAOYSA-N
XLogP3.50
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene with MolForge

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Related Compounds

2-(2,6-dimethylphenyl)pyrazine
CID 91666747
2-[(1R)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole
CID 124880974
2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole
CID 124880975
2-(3,4,5-trimethylphenyl)pyrazine
CID 126550614
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
4-chloro-6-methyl-2-pyrazin-2-ylpyrimidine
CID 43807323
2-(4-bromo-3,5-dimethylphenyl)pyrazine
CID 86697321
2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58382626
4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine
CID 86668897
4-chloro-1-methyl-6-pyrazin-2-ylpyrazolo[5,4-d]pyrimidine
CID 86624426
2-fluoro-6,7-dimethylquinoxaline
CID 10654851
3-pyrazin-2-yl-1,2,4-triazine
CID 67443903

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene?
The IUPAC name of 5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene (CID 56589498) is 5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene.
What is the SMILES notation for 5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene?
The canonical SMILES for 5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene is Cc1cc2nc3c(-c4cnccn4)c4cnccn4c3nc2cc1C.
What is the InChIKey of 5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene?
The InChIKey is RXVMWHUICWQPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c1-11-7-13-14(8-12(11)2)24-19-18(23-13)17(15-9-20-3-4-22-15)16-10-21-5-6-25(16)19/h3-10H,1-2H3.
What are the key properties of 5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene?
5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene has a molecular weight of 326.36 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene is sourced from PubChem (CID 56589498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).