4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine

C12H16F3N7 — CID 141374819

IUPAC4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine
SMILESFC(F)(F)c1ccn(CN2C=NC(N3CCNCC3)=NC2)n1
InChIInChI=1S/C12H16F3N7/c13-12(14,15)10-1-4-22(19-10)9-20-7-17-11(18-8-20)21-5-2-16-3-6-21/h1,4,7,16H,2-3,5-6,8-9H2
InChIKeyHWUAAMQREQRKOJ-UHFFFAOYSA-N
MW315.30 g/mol
LogP0.42
Rot. Bonds2

About 4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine

4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine (PubChem CID 141374819) has the molecular formula C12H16F3N7 and a molecular weight of 315.30 g/mol. Its IUPAC name is 4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine.

Molecular Properties

Compound Name4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine
PubChem CID141374819
Molecular FormulaC12H16F3N7
Molecular Weight315.30 g/mol
Exact Mass315.14
IUPAC Name4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine
SMILESFC(F)(F)c1ccn(CN2C=NC(N3CCNCC3)=NC2)n1
InChIInChI=1S/C12H16F3N7/c13-12(14,15)10-1-4-22(19-10)9-20-7-17-11(18-8-20)21-5-2-16-3-6-21/h1,4,7,16H,2-3,5-6,8-9H2
InChIKeyHWUAAMQREQRKOJ-UHFFFAOYSA-N
XLogP0.42
TPSA61.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 117817560
6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 117817582
3-(3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidine
CID 61632463
N-[2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838933
2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 80857109
(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 93951741
4-[4-Oxo-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,5-triazin-2-yl]piperazine-1-carboxylic acid
CID 117840744
4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazin-2-ol
CID 117841627
4-(piperazin-1-yl)-1-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,3,5-triazin-2(1H)-one
CID 117849087
N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine
CID 118360193
N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine
CID 118700028
4-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 122440827

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine?
The IUPAC name of 4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine (CID 141374819) is 4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine.
What is the SMILES notation for 4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine?
The canonical SMILES for 4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine is FC(F)(F)c1ccn(CN2C=NC(N3CCNCC3)=NC2)n1.
What is the InChIKey of 4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine?
The InChIKey is HWUAAMQREQRKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N7/c13-12(14,15)10-1-4-22(19-10)9-20-7-17-11(18-8-20)21-5-2-16-3-6-21/h1,4,7,16H,2-3,5-6,8-9H2.
What are the key properties of 4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine?
4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine has a molecular weight of 315.30 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2H-1,3,5-triazine is sourced from PubChem (CID 141374819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).