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

C22H26N6 — CID 112957426

IUPAC5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1cccc(Nc2nncc(N3CCN(c4cccc(C)c4C)CC3)n2)c1
InChIInChI=1S/C22H26N6/c1-16-6-4-8-19(14-16)24-22-25-21(15-23-26-22)28-12-10-27(11-13-28)20-9-5-7-17(2)18(20)3/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26)
InChIKeyNVNJMNDAPYJDMK-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.87
Rot. Bonds4

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

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine (PubChem CID 112957426) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine
PubChem CID112957426
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1cccc(Nc2nncc(N3CCN(c4cccc(C)c4C)CC3)n2)c1
InChIInChI=1S/C22H26N6/c1-16-6-4-8-19(14-16)24-22-25-21(15-23-26-22)28-12-10-27(11-13-28)20-9-5-7-17(2)18(20)3/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26)
InChIKeyNVNJMNDAPYJDMK-UHFFFAOYSA-N
XLogP3.87
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957453
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957363
N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945917
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945291
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941132
3-[[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112957368
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
3-[[5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112946298
3-N-(3-methylphenyl)-5-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962114
5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine
CID 112946238
N-(3-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958087

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine (CID 112957426) is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine is Cc1cccc(Nc2nncc(N3CCN(c4cccc(C)c4C)CC3)n2)c1.
What is the InChIKey of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is NVNJMNDAPYJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-16-6-4-8-19(14-16)24-22-25-21(15-23-26-22)28-12-10-27(11-13-28)20-9-5-7-17(2)18(20)3/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26).
What are the key properties of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine?
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 374.49 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112957426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).