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

C17H23N5O2 — CID 112942873

IUPACN-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCOc1ccc(OC)c(Nc2cnnc(N3CCC(C)CC3)n2)c1
InChIInChI=1S/C17H23N5O2/c1-12-6-8-22(9-7-12)17-20-16(11-18-21-17)19-14-10-13(23-2)4-5-15(14)24-3/h4-5,10-12H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyILJSYBGZCKMBGB-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.87
Rot. Bonds5

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

N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112942873) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112942873
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCOc1ccc(OC)c(Nc2cnnc(N3CCC(C)CC3)n2)c1
InChIInChI=1S/C17H23N5O2/c1-12-6-8-22(9-7-12)17-20-16(11-18-21-17)19-14-10-13(23-2)4-5-15(14)24-3/h4-5,10-12H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyILJSYBGZCKMBGB-UHFFFAOYSA-N
XLogP2.87
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946068
3-N-cyclopropyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112939419
ethyl 4-[5-(2,4-dimethoxyanilino)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112957153
3-N-cyclohexyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942500
N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910799
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942855
N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942863
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463
N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942174
N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 1367189
3-N-tert-butyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959071
N-(2,5-dimethoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914067

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (CID 112942873) is N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is COc1ccc(OC)c(Nc2cnnc(N3CCC(C)CC3)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is ILJSYBGZCKMBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-6-8-22(9-7-12)17-20-16(11-18-21-17)19-14-10-13(23-2)4-5-15(14)24-3/h4-5,10-12H,6-9H2,1-3H3,(H,19,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 329.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112942873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).