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

C14H16ClN5 — CID 25217643

IUPAC2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
SMILESCN1CCN(c2ncnc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C14H16ClN5/c1-19-6-8-20(9-7-19)14-17-10-16-13(18-14)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyLSKJDQQPOJULCA-UHFFFAOYSA-N
MW289.77 g/mol
LogP1.94
Rot. Bonds2

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

2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine (PubChem CID 25217643) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
PubChem CID25217643
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
SMILESCN1CCN(c2ncnc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C14H16ClN5/c1-19-6-8-20(9-7-19)14-17-10-16-13(18-14)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyLSKJDQQPOJULCA-UHFFFAOYSA-N
XLogP1.94
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine (CID 25217643) is 2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine is CN1CCN(c2ncnc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The InChIKey is LSKJDQQPOJULCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c1-19-6-8-20(9-7-19)14-17-10-16-13(18-14)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine has a molecular weight of 289.77 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 25217643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).