3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine

C16H21ClN6 — CID 112938357

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine
SMILESCCCNc1cnnc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C16H21ClN6/c1-2-6-18-15-12-19-21-16(20-15)23-9-7-22(8-10-23)14-5-3-4-13(17)11-14/h3-5,11-12H,2,6-10H2,1H3,(H,18,20,21)
InChIKeyGJGWYFSLRPLRFF-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.67
Rot. Bonds5

About 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine

3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine (PubChem CID 112938357) has the molecular formula C16H21ClN6 and a molecular weight of 332.84 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine
PubChem CID112938357
Molecular FormulaC16H21ClN6
Molecular Weight332.84 g/mol
Exact Mass332.15
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine
SMILESCCCNc1cnnc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C16H21ClN6/c1-2-6-18-15-12-19-21-16(20-15)23-9-7-22(8-10-23)14-5-3-4-13(17)11-14/h3-5,11-12H,2,6-10H2,1H3,(H,18,20,21)
InChIKeyGJGWYFSLRPLRFF-UHFFFAOYSA-N
XLogP2.67
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112957549
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine
CID 112939151
3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945819
1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112938312
3-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-5-amine
CID 112938300
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946018
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 112908525
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112954337
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
CID 112938752
3-N-[2-(3-chlorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938377
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112957281

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine (CID 112938357) is 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine is CCCNc1cnnc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine?
The InChIKey is GJGWYFSLRPLRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6/c1-2-6-18-15-12-19-21-16(20-15)23-9-7-22(8-10-23)14-5-3-4-13(17)11-14/h3-5,11-12H,2,6-10H2,1H3,(H,18,20,21).
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine?
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine has a molecular weight of 332.84 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112938357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).