4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile

C13H11ClN4O2 — CID 62868776

IUPAC4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile
SMILESCC(C)Oc1nc(Cl)nc(Oc2ccc(C#N)cc2)n1
InChIInChI=1S/C13H11ClN4O2/c1-8(2)19-12-16-11(14)17-13(18-12)20-10-5-3-9(7-15)4-6-10/h3-6,8H,1-2H3
InChIKeyIJWSUSVGQNWNKZ-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.98
Rot. Bonds4

About 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile

4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile (PubChem CID 62868776) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile.

Molecular Properties

Compound Name4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile
PubChem CID62868776
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile
SMILESCC(C)Oc1nc(Cl)nc(Oc2ccc(C#N)cc2)n1
InChIInChI=1S/C13H11ClN4O2/c1-8(2)19-12-16-11(14)17-13(18-12)20-10-5-3-9(7-15)4-6-10/h3-6,8H,1-2H3
InChIKeyIJWSUSVGQNWNKZ-UHFFFAOYSA-N
XLogP2.98
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 58974961
2-chloro-4-(3,4-dichlorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62869132
4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide
CID 62869638
4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 162501099
2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62868287
2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124618
2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266
4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80869270
4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile
CID 10717549
4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile
CID 43262138
2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124799
2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106794790

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile?
The IUPAC name of 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile (CID 62868776) is 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile.
What is the SMILES notation for 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile?
The canonical SMILES for 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile is CC(C)Oc1nc(Cl)nc(Oc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile?
The InChIKey is IJWSUSVGQNWNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c1-8(2)19-12-16-11(14)17-13(18-12)20-10-5-3-9(7-15)4-6-10/h3-6,8H,1-2H3.
What are the key properties of 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile?
4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile has a molecular weight of 290.71 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile is sourced from PubChem (CID 62868776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).