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

C17H29N7O — CID 42888235

IUPAC[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C17H29N7O/c1-12(14-19-16(18)21-17(20-14)22(2)3)23-8-10-24(11-9-23)15(25)13-6-4-5-7-13/h12-13H,4-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyXHAGEPOXXWYJFE-UHFFFAOYSA-N
MW347.47 g/mol
LogP0.92
Rot. Bonds4

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

[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone (PubChem CID 42888235) has the molecular formula C17H29N7O and a molecular weight of 347.47 g/mol. Its IUPAC name is [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone
PubChem CID42888235
Molecular FormulaC17H29N7O
Molecular Weight347.47 g/mol
Exact Mass347.24
IUPAC Name[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C17H29N7O/c1-12(14-19-16(18)21-17(20-14)22(2)3)23-8-10-24(11-9-23)15(25)13-6-4-5-7-13/h12-13H,4-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyXHAGEPOXXWYJFE-UHFFFAOYSA-N
XLogP0.92
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone (CID 42888235) is [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone is CC(c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is XHAGEPOXXWYJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7O/c1-12(14-19-16(18)21-17(20-14)22(2)3)23-8-10-24(11-9-23)15(25)13-6-4-5-7-13/h12-13H,4-11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone?
[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 347.47 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 42888235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).