2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol

C11H12ClN5O — CID 826985

IUPAC2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
SMILESCCNc1nc(N)nc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C11H12ClN5O/c1-2-14-11-16-9(15-10(13)17-11)7-5-6(12)3-4-8(7)18/h3-5,18H,2H2,1H3,(H3,13,14,15,16,17)
InChIKeyHQGLOCBEIOZESH-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.91
Rot. Bonds3

About 2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol

2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol (PubChem CID 826985) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol.

Molecular Properties

Compound Name2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
PubChem CID826985
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
SMILESCCNc1nc(N)nc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C11H12ClN5O/c1-2-14-11-16-9(15-10(13)17-11)7-5-6(12)3-4-8(7)18/h3-5,18H,2H2,1H3,(H3,13,14,15,16,17)
InChIKeyHQGLOCBEIOZESH-UHFFFAOYSA-N
XLogP1.91
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The IUPAC name of 2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol (CID 826985) is 2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol.
What is the SMILES notation for 2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The canonical SMILES for 2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol is CCNc1nc(N)nc(-c2cc(Cl)ccc2O)n1.
What is the InChIKey of 2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The InChIKey is HQGLOCBEIOZESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-2-14-11-16-9(15-10(13)17-11)7-5-6(12)3-4-8(7)18/h3-5,18H,2H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol has a molecular weight of 265.70 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol is sourced from PubChem (CID 826985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).