4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine

C15H17Cl2N5 — CID 54135948

IUPAC4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cc(Cl)ccc2Cl)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H17Cl2N5/c16-10-5-6-12(17)11(9-10)13-19-14(18)21-15(20-13)22-7-3-1-2-4-8-22/h5-6,9H,1-4,7-8H2,(H2,18,19,20,21)
InChIKeyNXSAJDSUDJUTRP-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.81
Rot. Bonds2

About 4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine

4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine (PubChem CID 54135948) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
PubChem CID54135948
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC Name4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cc(Cl)ccc2Cl)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H17Cl2N5/c16-10-5-6-12(17)11(9-10)13-19-14(18)21-15(20-13)22-7-3-1-2-4-8-22/h5-6,9H,1-4,7-8H2,(H2,18,19,20,21)
InChIKeyNXSAJDSUDJUTRP-UHFFFAOYSA-N
XLogP3.81
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine (CID 54135948) is 4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine is Nc1nc(-c2cc(Cl)ccc2Cl)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is NXSAJDSUDJUTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5/c16-10-5-6-12(17)11(9-10)13-19-14(18)21-15(20-13)22-7-3-1-2-4-8-22/h5-6,9H,1-4,7-8H2,(H2,18,19,20,21).
What are the key properties of 4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 338.24 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 54135948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).