N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine

C19H21N7 — CID 112957952

IUPACN-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCN(c1ccccc1)c1cnnc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C19H21N7/c1-24(16-7-3-2-4-8-16)18-15-21-23-19(22-18)26-13-11-25(12-14-26)17-9-5-6-10-20-17/h2-10,15H,11-14H2,1H3
InChIKeyOPDZMXNJAHVTQD-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.36
Rot. Bonds4

About N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine

N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112957952) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112957952
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC NameN-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCN(c1ccccc1)c1cnnc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C19H21N7/c1-24(16-7-3-2-4-8-16)18-15-21-23-19(22-18)26-13-11-25(12-14-26)17-9-5-6-10-20-17/h2-10,15H,11-14H2,1H3
InChIKeyOPDZMXNJAHVTQD-UHFFFAOYSA-N
XLogP2.36
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
CID 112961359
N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957935
3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine
CID 112942806
N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112960710
N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940718
[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310584
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957940
N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957970
N-(2,4-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957955
N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112946090
N,6-dimethyl-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 166258999
[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238602

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112957952) is N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is CN(c1ccccc1)c1cnnc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is OPDZMXNJAHVTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-24(16-7-3-2-4-8-16)18-15-21-23-19(22-18)26-13-11-25(12-14-26)17-9-5-6-10-20-17/h2-10,15H,11-14H2,1H3.
What are the key properties of N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 347.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112957952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).