2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile

C11H9N5O — CID 3063140

IUPAC2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile
SMILESCC(C)Oc1nc(N)c(C#N)c(C#N)c1C#N
InChIInChI=1S/C11H9N5O/c1-6(2)17-11-9(5-14)7(3-12)8(4-13)10(15)16-11/h6H,1-2H3,(H2,15,16)
InChIKeyKEUYHNCFTDJTHU-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.07
Rot. Bonds2

About 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile

2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile (PubChem CID 3063140) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile.

Molecular Properties

Compound Name2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile
PubChem CID3063140
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile
SMILESCC(C)Oc1nc(N)c(C#N)c(C#N)c1C#N
InChIInChI=1S/C11H9N5O/c1-6(2)17-11-9(5-14)7(3-12)8(4-13)10(15)16-11/h6H,1-2H3,(H2,15,16)
InChIKeyKEUYHNCFTDJTHU-UHFFFAOYSA-N
XLogP1.07
TPSA119.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile?
The IUPAC name of 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile (CID 3063140) is 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile.
What is the SMILES notation for 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile?
The canonical SMILES for 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile is CC(C)Oc1nc(N)c(C#N)c(C#N)c1C#N.
What is the InChIKey of 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile?
The InChIKey is KEUYHNCFTDJTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-6(2)17-11-9(5-14)7(3-12)8(4-13)10(15)16-11/h6H,1-2H3,(H2,15,16).
What are the key properties of 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile?
2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile has a molecular weight of 227.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile is sourced from PubChem (CID 3063140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).