N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine

C16H22N6O2 — CID 112946068

IUPACN-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCOc1ccc(OC)c(Nc2cnnc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C16H22N6O2/c1-21-6-8-22(9-7-21)16-19-15(11-17-20-16)18-13-10-12(23-2)4-5-14(13)24-3/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,20)
InChIKeyKOZCYRLVAXLLBV-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.38
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine

N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112946068) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112946068
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCOc1ccc(OC)c(Nc2cnnc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C16H22N6O2/c1-21-6-8-22(9-7-21)16-19-15(11-17-20-16)18-13-10-12(23-2)4-5-14(13)24-3/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,20)
InChIKeyKOZCYRLVAXLLBV-UHFFFAOYSA-N
XLogP1.38
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942873
N-(2,5-dimethoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914067
N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968422
ethyl 4-[5-(2,4-dimethoxyanilino)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112957153
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946094
3-N-cyclopropyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112939419
N-(5-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946051
1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947103
3-N-tert-butyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959071
methyl 4-chloro-3-[[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112946081
3-N-cyclohexyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942500
N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942174

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112946068) is N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine is COc1ccc(OC)c(Nc2cnnc(N3CCN(C)CC3)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is KOZCYRLVAXLLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-21-6-8-22(9-7-21)16-19-15(11-17-20-16)18-13-10-12(23-2)4-5-14(13)24-3/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 330.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112946068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).