N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine

C21H25N7 — CID 112951722

IUPACN-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCCN(Cc1ccccc1)c1nncc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-2-26(17-18-8-4-3-5-9-18)21-24-20(16-23-25-21)28-14-12-27(13-15-28)19-10-6-7-11-22-19/h3-11,16H,2,12-15,17H2,1H3
InChIKeyZYOKMHMAGRIHOP-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.62
Rot. Bonds6

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

N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112951722) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112951722
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCCN(Cc1ccccc1)c1nncc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-2-26(17-18-8-4-3-5-9-18)21-24-20(16-23-25-21)28-14-12-27(13-15-28)19-10-6-7-11-22-19/h3-11,16H,2,12-15,17H2,1H3
InChIKeyZYOKMHMAGRIHOP-UHFFFAOYSA-N
XLogP2.62
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112946145
N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942585
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112951735
N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957935
N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884459
3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine
CID 112942806
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine
CID 112953116
3-N-benzyl-3-N-ethyl-5-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951804
4-[5-[benzyl(ethyl)amino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946672
N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256640
N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957952

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112951722) is N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine is CCN(Cc1ccccc1)c1nncc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is ZYOKMHMAGRIHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-2-26(17-18-8-4-3-5-9-18)21-24-20(16-23-25-21)28-14-12-27(13-15-28)19-10-6-7-11-22-19/h3-11,16H,2,12-15,17H2,1H3.
What are the key properties of N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 375.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112951722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).