6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C16H14N8O — CID 134229468

IUPAC6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ccc(-c2cnccn2)c(N)n1
InChIInChI=1S/C16H14N8O/c1-8-11(13(17)14-16(21-8)24-25-23-14)6-9-2-3-10(15(18)22-9)12-7-19-4-5-20-12/h2-5,7H,6,17H2,1H3,(H2,18,22)
InChIKeyCENATWJHWLMNAJ-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.53
Rot. Bonds3

About 6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 134229468) has the molecular formula C16H14N8O and a molecular weight of 334.34 g/mol. Its IUPAC name is 6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID134229468
Molecular FormulaC16H14N8O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ccc(-c2cnccn2)c(N)n1
InChIInChI=1S/C16H14N8O/c1-8-11(13(17)14-16(21-8)24-25-23-14)6-9-2-3-10(15(18)22-9)12-7-19-4-5-20-12/h2-5,7H,6,17H2,1H3,(H2,18,22)
InChIKeyCENATWJHWLMNAJ-UHFFFAOYSA-N
XLogP1.53
TPSA142.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 134229468) is 6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cc1ccc(-c2cnccn2)c(N)n1.
What is the InChIKey of 6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is CENATWJHWLMNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O/c1-8-11(13(17)14-16(21-8)24-25-23-14)6-9-2-3-10(15(18)22-9)12-7-19-4-5-20-12/h2-5,7H,6,17H2,1H3,(H2,18,22).
What are the key properties of 6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 334.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-amino-5-pyrazin-2-yl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 134229468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).