4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one

C11H19N7O — CID 34690913

IUPAC4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one
SMILESC[C@@H](c1nc(N)nc(N(C)C)n1)N1CCNC(=O)C1
InChIInChI=1S/C11H19N7O/c1-7(18-5-4-13-8(19)6-18)9-14-10(12)16-11(15-9)17(2)3/h7H,4-6H2,1-3H3,(H,13,19)(H2,12,14,15,16)/t7-/m0/s1
InChIKeyYLZRSCFDYZXKMD-ZETCQYMHSA-N
MW265.32 g/mol
LogP-0.99
Rot. Bonds3

About 4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one

4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one (PubChem CID 34690913) has the molecular formula C11H19N7O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one
PubChem CID34690913
Molecular FormulaC11H19N7O
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one
SMILESC[C@@H](c1nc(N)nc(N(C)C)n1)N1CCNC(=O)C1
InChIInChI=1S/C11H19N7O/c1-7(18-5-4-13-8(19)6-18)9-14-10(12)16-11(15-9)17(2)3/h7H,4-6H2,1-3H3,(H,13,19)(H2,12,14,15,16)/t7-/m0/s1
InChIKeyYLZRSCFDYZXKMD-ZETCQYMHSA-N
XLogP-0.99
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one?
The IUPAC name of 4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one (CID 34690913) is 4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one.
What is the SMILES notation for 4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one?
The canonical SMILES for 4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one is C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCNC(=O)C1.
What is the InChIKey of 4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one?
The InChIKey is YLZRSCFDYZXKMD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H19N7O/c1-7(18-5-4-13-8(19)6-18)9-14-10(12)16-11(15-9)17(2)3/h7H,4-6H2,1-3H3,(H,13,19)(H2,12,14,15,16)/t7-/m0/s1.
What are the key properties of 4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one?
4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one has a molecular weight of 265.32 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one is sourced from PubChem (CID 34690913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).