4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine

C11H18ClN5 — CID 13474698

IUPAC4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCCCCC2)n1
InChIInChI=1S/C11H18ClN5/c1-2-13-10-14-9(12)15-11(16-10)17-7-5-3-4-6-8-17/h2-8H2,1H3,(H,13,14,15,16)
InChIKeyAIEZMMXZJFUDHS-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.34
Rot. Bonds3

About 4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine

4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 13474698) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine
PubChem CID13474698
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCCCCC2)n1
InChIInChI=1S/C11H18ClN5/c1-2-13-10-14-9(12)15-11(16-10)17-7-5-3-4-6-8-17/h2-8H2,1H3,(H,13,14,15,16)
InChIKeyAIEZMMXZJFUDHS-UHFFFAOYSA-N
XLogP2.34
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.34
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-chloro-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine (CID 13474698) is 4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is AIEZMMXZJFUDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-2-13-10-14-9(12)15-11(16-10)17-7-5-3-4-6-8-17/h2-8H2,1H3,(H,13,14,15,16).
What are the key properties of 4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 2.34, 3 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-chloro-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 13474698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).