1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole

C26H30N8 — CID 59246649

IUPAC1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole
SMILESCc1nc(-n2nnc3c(C)c(C)c(C)c(C)c32)c(C)nc1-n1nnc2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C26H30N8/c1-11-13(3)17(7)23-21(15(11)5)29-31-33(23)25-19(9)28-26(20(10)27-25)34-24-18(8)14(4)12(2)16(6)22(24)30-32-34/h1-10H3
InChIKeyMRGBRMDHWNRHKW-UHFFFAOYSA-N
MW454.58 g/mol
LogP5.03
Rot. Bonds2

About 1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole

1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole (PubChem CID 59246649) has the molecular formula C26H30N8 and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole.

Molecular Properties

Compound Name1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole
PubChem CID59246649
Molecular FormulaC26H30N8
Molecular Weight454.58 g/mol
Exact Mass454.26
IUPAC Name1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole
SMILESCc1nc(-n2nnc3c(C)c(C)c(C)c(C)c32)c(C)nc1-n1nnc2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C26H30N8/c1-11-13(3)17(7)23-21(15(11)5)29-31-33(23)25-19(9)28-26(20(10)27-25)34-24-18(8)14(4)12(2)16(6)22(24)30-32-34/h1-10H3
InChIKeyMRGBRMDHWNRHKW-UHFFFAOYSA-N
XLogP5.03
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.58
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole?
The IUPAC name of 1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole (CID 59246649) is 1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole.
What is the SMILES notation for 1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole?
The canonical SMILES for 1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole is Cc1nc(-n2nnc3c(C)c(C)c(C)c(C)c32)c(C)nc1-n1nnc2c(C)c(C)c(C)c(C)c21.
What is the InChIKey of 1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole?
The InChIKey is MRGBRMDHWNRHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8/c1-11-13(3)17(7)23-21(15(11)5)29-31-33(23)25-19(9)28-26(20(10)27-25)34-24-18(8)14(4)12(2)16(6)22(24)30-32-34/h1-10H3.
What are the key properties of 1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole?
1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole has a molecular weight of 454.58 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,6-dimethyl-5-(4,5,6,7-tetramethylbenzotriazol-1-yl)pyrazin-2-yl]-4,5,6,7-tetramethylbenzotriazole is sourced from PubChem (CID 59246649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).