1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone

C17H23N7O — CID 112946858

IUPAC1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cnnc(N(C)CCc3ccncc3)n2)CC1
InChIInChI=1S/C17H23N7O/c1-14(25)23-9-11-24(12-10-23)16-13-19-21-17(20-16)22(2)8-5-15-3-6-18-7-4-15/h3-4,6-7,13H,5,8-12H2,1-2H3
InChIKeyVTUGVMIZMOBZTO-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.61
Rot. Bonds5

About 1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone

1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone (PubChem CID 112946858) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
PubChem CID112946858
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cnnc(N(C)CCc3ccncc3)n2)CC1
InChIInChI=1S/C17H23N7O/c1-14(25)23-9-11-24(12-10-23)16-13-19-21-17(20-16)22(2)8-5-15-3-6-18-7-4-15/h3-4,6-7,13H,5,8-12H2,1-2H3
InChIKeyVTUGVMIZMOBZTO-UHFFFAOYSA-N
XLogP0.61
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112954718
N-methyl-5-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112954689
(4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109302549
5-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112939132
[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249940
N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945834
5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112944740
1-[4-[3-[3-(dimethylamino)propylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112945597
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112895723
N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941878
3-N-methyl-5-N-(2-morpholin-4-ylphenyl)-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954784
5-N-(1,1-dioxothiolan-3-yl)-3-N,5-N-dimethyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954687

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone (CID 112946858) is 1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cnnc(N(C)CCc3ccncc3)n2)CC1.
What is the InChIKey of 1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
The InChIKey is VTUGVMIZMOBZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-14(25)23-9-11-24(12-10-23)16-13-19-21-17(20-16)22(2)8-5-15-3-6-18-7-4-15/h3-4,6-7,13H,5,8-12H2,1-2H3.
What are the key properties of 1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone has a molecular weight of 341.42 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112946858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).