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

C16H17N7O — CID 162705855

IUPAC2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine
SMILESc1nc(Oc2ccc(-c3cn[nH]c3)cc2)nc(N2CCNCC2)n1
InChIInChI=1S/C16H17N7O/c1-3-14(4-2-12(1)13-9-20-21-10-13)24-16-19-11-18-15(22-16)23-7-5-17-6-8-23/h1-4,9-11,17H,5-8H2,(H,20,21)
InChIKeyZRVLXVYQTMCDIZ-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.46
Rot. Bonds4

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

2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine (PubChem CID 162705855) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine
PubChem CID162705855
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine
SMILESc1nc(Oc2ccc(-c3cn[nH]c3)cc2)nc(N2CCNCC2)n1
InChIInChI=1S/C16H17N7O/c1-3-14(4-2-12(1)13-9-20-21-10-13)24-16-19-11-18-15(22-16)23-7-5-17-6-8-23/h1-4,9-11,17H,5-8H2,(H,20,21)
InChIKeyZRVLXVYQTMCDIZ-UHFFFAOYSA-N
XLogP1.46
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-4-piperazin-1-yl-1,3,5-triazine
CID 54357139
4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole
CID 118191758
6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
CID 22032423
5-iodo-2-(4-piperazin-1-ylphenoxy)pyrimidine
CID 116648737
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride
CID 135146269
2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine
CID 67388017
4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 70578273
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperazine;pyrrolidine-1-carbaldehyde
CID 170170465
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031947

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine?
The IUPAC name of 2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine (CID 162705855) is 2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine.
What is the SMILES notation for 2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine?
The canonical SMILES for 2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine is c1nc(Oc2ccc(-c3cn[nH]c3)cc2)nc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine?
The InChIKey is ZRVLXVYQTMCDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-3-14(4-2-12(1)13-9-20-21-10-13)24-16-19-11-18-15(22-16)23-7-5-17-6-8-23/h1-4,9-11,17H,5-8H2,(H,20,21).
What are the key properties of 2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine?
2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine has a molecular weight of 323.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-[4-(1H-pyrazol-4-yl)phenoxy]-1,3,5-triazine is sourced from PubChem (CID 162705855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).