5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine

C18H14N8O — CID 70913750

IUPAC5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine
SMILESCc1cc(Nc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)no1
InChIInChI=1S/C18H14N8O/c1-11-7-15(24-27-11)21-16-9-20-17-18(22-16)26(25-23-17)10-12-4-5-14-13(8-12)3-2-6-19-14/h2-9H,10H2,1H3,(H,21,22,24)
InChIKeyHAVGLGNQQUKGCT-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.86
Rot. Bonds4

About 5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine

5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine (PubChem CID 70913750) has the molecular formula C18H14N8O and a molecular weight of 358.37 g/mol. Its IUPAC name is 5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine
PubChem CID70913750
Molecular FormulaC18H14N8O
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine
SMILESCc1cc(Nc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)no1
InChIInChI=1S/C18H14N8O/c1-11-7-15(24-27-11)21-16-9-20-17-18(22-16)26(25-23-17)10-12-4-5-14-13(8-12)3-2-6-19-14/h2-9H,10H2,1H3,(H,21,22,24)
InChIKeyHAVGLGNQQUKGCT-UHFFFAOYSA-N
XLogP2.86
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine (CID 70913750) is 5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine is Cc1cc(Nc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)no1.
What is the InChIKey of 5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine?
The InChIKey is HAVGLGNQQUKGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8O/c1-11-7-15(24-27-11)21-16-9-20-17-18(22-16)26(25-23-17)10-12-4-5-14-13(8-12)3-2-6-19-14/h2-9H,10H2,1H3,(H,21,22,24).
What are the key properties of 5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine?
5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine has a molecular weight of 358.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 70913750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).