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

C20H22N6 — CID 112957281

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
SMILESCc1cccc(N2CCN(c3nncc(Nc4ccccc4)n3)CC2)c1
InChIInChI=1S/C20H22N6/c1-16-6-5-9-18(14-16)25-10-12-26(13-11-25)20-23-19(15-21-24-20)22-17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,22,23,24)
InChIKeyZJWJHNNXHMLPTC-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.25
Rot. Bonds4

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

3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine (PubChem CID 112957281) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
PubChem CID112957281
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
SMILESCc1cccc(N2CCN(c3nncc(Nc4ccccc4)n3)CC2)c1
InChIInChI=1S/C20H22N6/c1-16-6-5-9-18(14-16)25-10-12-26(13-11-25)20-23-19(15-21-24-20)22-17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,22,23,24)
InChIKeyZJWJHNNXHMLPTC-UHFFFAOYSA-N
XLogP3.25
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955539
N-(2-fluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957301
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
CID 112938752
N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942079
N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957323
N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955547
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112955680
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112957549
N-(3,5-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923497
5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945994
N-(4-fluorophenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923504
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine (CID 112957281) is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine is Cc1cccc(N2CCN(c3nncc(Nc4ccccc4)n3)CC2)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine?
The InChIKey is ZJWJHNNXHMLPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-16-6-5-9-18(14-16)25-10-12-26(13-11-25)20-23-19(15-21-24-20)22-17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,22,23,24).
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine?
3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine has a molecular weight of 346.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112957281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).