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

C18H24ClN7 — CID 112945819

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCN1CCN(c2cnnc(N3CCN(c4cccc(Cl)c4)CC3)n2)CC1
InChIInChI=1S/C18H24ClN7/c1-23-5-7-25(8-6-23)17-14-20-22-18(21-17)26-11-9-24(10-12-26)16-4-2-3-15(19)13-16/h2-4,13-14H,5-12H2,1H3
InChIKeyXPLLARZLKOVSSA-UHFFFAOYSA-N
MW373.89 g/mol
LogP1.60
Rot. Bonds3

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

3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 112945819) has the molecular formula C18H24ClN7 and a molecular weight of 373.89 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
PubChem CID112945819
Molecular FormulaC18H24ClN7
Molecular Weight373.89 g/mol
Exact Mass373.18
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCN1CCN(c2cnnc(N3CCN(c4cccc(Cl)c4)CC3)n2)CC1
InChIInChI=1S/C18H24ClN7/c1-23-5-7-25(8-6-23)17-14-20-22-18(21-17)26-11-9-24(10-12-26)16-4-2-3-15(19)13-16/h2-4,13-14H,5-12H2,1H3
InChIKeyXPLLARZLKOVSSA-UHFFFAOYSA-N
XLogP1.60
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945994
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine
CID 112938357
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
3-(4-benzylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945803
5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945981
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine
CID 112939151
1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947029
1-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]azepane
CID 112955538
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112957549
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine (CID 112945819) is 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine is CN1CCN(c2cnnc(N3CCN(c4cccc(Cl)c4)CC3)n2)CC1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is XPLLARZLKOVSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN7/c1-23-5-7-25(8-6-23)17-14-20-22-18(21-17)26-11-9-24(10-12-26)16-4-2-3-15(19)13-16/h2-4,13-14H,5-12H2,1H3.
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine?
3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 373.89 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 112945819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).