2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile

C14H14ClN5O — CID 143586283

IUPAC2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile
SMILESCCc1cc(Cl)c(-c2nc(C)nc(N)n2)cc1OCC#N
InChIInChI=1S/C14H14ClN5O/c1-3-9-6-11(15)10(7-12(9)21-5-4-16)13-18-8(2)19-14(17)20-13/h6-7H,3,5H2,1-2H3,(H2,17,18,19,20)
InChIKeyVJANISJOFAHIAE-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.55
Rot. Bonds4

About 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile

2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile (PubChem CID 143586283) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile.

Molecular Properties

Compound Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile
PubChem CID143586283
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile
SMILESCCc1cc(Cl)c(-c2nc(C)nc(N)n2)cc1OCC#N
InChIInChI=1S/C14H14ClN5O/c1-3-9-6-11(15)10(7-12(9)21-5-4-16)13-18-8(2)19-14(17)20-13/h6-7H,3,5H2,1-2H3,(H2,17,18,19,20)
InChIKeyVJANISJOFAHIAE-UHFFFAOYSA-N
XLogP2.55
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile?
The IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile (CID 143586283) is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile.
What is the SMILES notation for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile?
The canonical SMILES for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile is CCc1cc(Cl)c(-c2nc(C)nc(N)n2)cc1OCC#N.
What is the InChIKey of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile?
The InChIKey is VJANISJOFAHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-3-9-6-11(15)10(7-12(9)21-5-4-16)13-18-8(2)19-14(17)20-13/h6-7H,3,5H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile?
2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile has a molecular weight of 303.75 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile is sourced from PubChem (CID 143586283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).