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

C14H22F3N7O — CID 86868070

IUPAC1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C14H22F3N7O/c1-9(11-19-12(18)21-13(20-11)22(2)3)23-4-6-24(7-5-23)10(25)8-14(15,16)17/h9H,4-8H2,1-3H3,(H2,18,19,20,21)
InChIKeyPOVFZBYZHDGAHM-UHFFFAOYSA-N
MW361.37 g/mol
LogP0.68
Rot. Bonds4

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

1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one (PubChem CID 86868070) has the molecular formula C14H22F3N7O and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
PubChem CID86868070
Molecular FormulaC14H22F3N7O
Molecular Weight361.37 g/mol
Exact Mass361.18
IUPAC Name1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C14H22F3N7O/c1-9(11-19-12(18)21-13(20-11)22(2)3)23-4-6-24(7-5-23)10(25)8-14(15,16)17/h9H,4-8H2,1-3H3,(H2,18,19,20,21)
InChIKeyPOVFZBYZHDGAHM-UHFFFAOYSA-N
XLogP0.68
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-[4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone
CID 34680379
2-(4-Acetyl-1-piperazinyl)-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 2828110
3,3,3-trifluoro-N-((4-methoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)propanamide
CID 122253603
N-((4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122254089
N-((4-(dimethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122254620
3-[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 133421694
1-[1-[4-Amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one
CID 136568972
2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide
CID 18124527
4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one
CID 34690909
4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-2-one
CID 34690913
1-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-1,4-diazepan-1-yl]ethanone
CID 34928409
1-[4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-1,4-diazepan-1-yl]ethanone
CID 34928412

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one (CID 86868070) is 1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one is CC(c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
The InChIKey is POVFZBYZHDGAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N7O/c1-9(11-19-12(18)21-13(20-11)22(2)3)23-4-6-24(7-5-23)10(25)8-14(15,16)17/h9H,4-8H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one has a molecular weight of 361.37 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 86868070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).