N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide

C26H22N6O4 — CID 162670839

IUPACN-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cn4c(=O)n(-c5ccccc5)nc4c(N)n3)cc2)cc1OC
InChIInChI=1S/C26H22N6O4/c1-35-21-13-10-17(14-22(21)36-2)25(33)28-18-11-8-16(9-12-18)20-15-31-24(23(27)29-20)30-32(26(31)34)19-6-4-3-5-7-19/h3-15H,1-2H3,(H2,27,29)(H,28,33)
InChIKeyVYUZNYKJEXWEDG-UHFFFAOYSA-N
MW482.50 g/mol
LogP3.40
Rot. Bonds6

About N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide

N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 162670839) has the molecular formula C26H22N6O4 and a molecular weight of 482.50 g/mol. Its IUPAC name is N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID162670839
Molecular FormulaC26H22N6O4
Molecular Weight482.50 g/mol
Exact Mass482.17
IUPAC NameN-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cn4c(=O)n(-c5ccccc5)nc4c(N)n3)cc2)cc1OC
InChIInChI=1S/C26H22N6O4/c1-35-21-13-10-17(14-22(21)36-2)25(33)28-18-11-8-16(9-12-18)20-15-31-24(23(27)29-20)30-32(26(31)34)19-6-4-3-5-7-19/h3-15H,1-2H3,(H2,27,29)(H,28,33)
InChIKeyVYUZNYKJEXWEDG-UHFFFAOYSA-N
XLogP3.40
TPSA125.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide (CID 162670839) is N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(-c3cn4c(=O)n(-c5ccccc5)nc4c(N)n3)cc2)cc1OC.
What is the InChIKey of N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is VYUZNYKJEXWEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O4/c1-35-21-13-10-17(14-22(21)36-2)25(33)28-18-11-8-16(9-12-18)20-15-31-24(23(27)29-20)30-32(26(31)34)19-6-4-3-5-7-19/h3-15H,1-2H3,(H2,27,29)(H,28,33).
What are the key properties of N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide?
N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 482.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 162670839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).