8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C20H15ClN8O — CID 156536816

IUPAC8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCOc1ccc(-c2cncc(N(C)c3nc4nncn4c4cc(Cl)ccc34)n2)cn1
InChIInChI=1S/C20H15ClN8O/c1-28(17-10-22-9-15(25-17)12-3-6-18(30-2)23-8-12)19-14-5-4-13(21)7-16(14)29-11-24-27-20(29)26-19/h3-11H,1-2H3
InChIKeyZIYZCJSUIWGGRJ-UHFFFAOYSA-N
MW418.85 g/mol
LogP3.56
Rot. Bonds4

About 8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156536816) has the molecular formula C20H15ClN8O and a molecular weight of 418.85 g/mol. Its IUPAC name is 8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156536816
Molecular FormulaC20H15ClN8O
Molecular Weight418.85 g/mol
Exact Mass418.11
IUPAC Name8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCOc1ccc(-c2cncc(N(C)c3nc4nncn4c4cc(Cl)ccc34)n2)cn1
InChIInChI=1S/C20H15ClN8O/c1-28(17-10-22-9-15(25-17)12-3-6-18(30-2)23-8-12)19-14-5-4-13(21)7-16(14)29-11-24-27-20(29)26-19/h3-11H,1-2H3
InChIKeyZIYZCJSUIWGGRJ-UHFFFAOYSA-N
XLogP3.56
TPSA94.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.85
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of 8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156536816) is 8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for 8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for 8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is COc1ccc(-c2cncc(N(C)c3nc4nncn4c4cc(Cl)ccc34)n2)cn1.
What is the InChIKey of 8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is ZIYZCJSUIWGGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN8O/c1-28(17-10-22-9-15(25-17)12-3-6-18(30-2)23-8-12)19-14-5-4-13(21)7-16(14)29-11-24-27-20(29)26-19/h3-11H,1-2H3.
What are the key properties of 8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 418.85 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[6-(6-methoxy-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156536816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).