2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine

C14H15ClFN5 — CID 25218025

IUPAC2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
SMILESCN1CCN(c2ncnc(-c3ccc(F)cc3Cl)n2)CC1
InChIInChI=1S/C14H15ClFN5/c1-20-4-6-21(7-5-20)14-18-9-17-13(19-14)11-3-2-10(16)8-12(11)15/h2-3,8-9H,4-7H2,1H3
InChIKeyVSSGFUBLIDLKEJ-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.08
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine

2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine (PubChem CID 25218025) has the molecular formula C14H15ClFN5 and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
PubChem CID25218025
Molecular FormulaC14H15ClFN5
Molecular Weight307.76 g/mol
Exact Mass307.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
SMILESCN1CCN(c2ncnc(-c3ccc(F)cc3Cl)n2)CC1
InChIInChI=1S/C14H15ClFN5/c1-20-4-6-21(7-5-20)14-18-9-17-13(19-14)11-3-2-10(16)8-12(11)15/h2-3,8-9H,4-7H2,1H3
InChIKeyVSSGFUBLIDLKEJ-UHFFFAOYSA-N
XLogP2.08
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine (CID 25218025) is 2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine is CN1CCN(c2ncnc(-c3ccc(F)cc3Cl)n2)CC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The InChIKey is VSSGFUBLIDLKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN5/c1-20-4-6-21(7-5-20)14-18-9-17-13(19-14)11-3-2-10(16)8-12(11)15/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine has a molecular weight of 307.76 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 25218025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).