1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one

C16H26Cl2N6O — CID 54272987

IUPAC1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one
SMILESCCCC(CNc1nc(Cl)nc(Cl)n1)N1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C16H26Cl2N6O/c1-6-7-10(8-19-14-21-12(17)20-13(18)22-14)24-9-15(2,3)23-16(4,5)11(24)25/h10,23H,6-9H2,1-5H3,(H,19,20,21,22)
InChIKeyRLLQYXZSGIGMOH-UHFFFAOYSA-N
MW389.33 g/mol
LogP2.75
Rot. Bonds6

About 1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one

1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one (PubChem CID 54272987) has the molecular formula C16H26Cl2N6O and a molecular weight of 389.33 g/mol. Its IUPAC name is 1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one.

Molecular Properties

Compound Name1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one
PubChem CID54272987
Molecular FormulaC16H26Cl2N6O
Molecular Weight389.33 g/mol
Exact Mass388.15
IUPAC Name1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one
SMILESCCCC(CNc1nc(Cl)nc(Cl)n1)N1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C16H26Cl2N6O/c1-6-7-10(8-19-14-21-12(17)20-13(18)22-14)24-9-15(2,3)23-16(4,5)11(24)25/h10,23H,6-9H2,1-5H3,(H,19,20,21,22)
InChIKeyRLLQYXZSGIGMOH-UHFFFAOYSA-N
XLogP2.75
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one?
The IUPAC name of 1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one (CID 54272987) is 1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one.
What is the SMILES notation for 1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one?
The canonical SMILES for 1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one is CCCC(CNc1nc(Cl)nc(Cl)n1)N1CC(C)(C)NC(C)(C)C1=O.
What is the InChIKey of 1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one?
The InChIKey is RLLQYXZSGIGMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Cl2N6O/c1-6-7-10(8-19-14-21-12(17)20-13(18)22-14)24-9-15(2,3)23-16(4,5)11(24)25/h10,23H,6-9H2,1-5H3,(H,19,20,21,22).
What are the key properties of 1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one?
1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one has a molecular weight of 389.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one is sourced from PubChem (CID 54272987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).