1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone

C19H25N7O — CID 112947029

IUPAC1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nncc(N3CCN(c4ccccc4)CC3)n2)CC1
InChIInChI=1S/C19H25N7O/c1-16(27)23-7-13-26(14-8-23)19-21-18(15-20-22-19)25-11-9-24(10-12-25)17-5-3-2-4-6-17/h2-6,15H,7-14H2,1H3
InChIKeyCNMARNXJBYUOPD-UHFFFAOYSA-N
MW367.46 g/mol
LogP0.87
Rot. Bonds3

About 1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone

1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 112947029) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
PubChem CID112947029
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nncc(N3CCN(c4ccccc4)CC3)n2)CC1
InChIInChI=1S/C19H25N7O/c1-16(27)23-7-13-26(14-8-23)19-21-18(15-20-22-19)25-11-9-24(10-12-25)17-5-3-2-4-6-17/h2-6,15H,7-14H2,1H3
InChIKeyCNMARNXJBYUOPD-UHFFFAOYSA-N
XLogP0.87
TPSA68.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]azepane
CID 112955538
1-[4-[6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914844
2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 112953240
3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945819
1-[4-[5-(diethylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947046
5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945994
1-[4-[3-(2,6-dichloroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946986
N-(2-ethylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955465
1-[4-[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946921
1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112938312
1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947103
1-[4-[3-[2-(trifluoromethyl)anilino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946947

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone (CID 112947029) is 1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nncc(N3CCN(c4ccccc4)CC3)n2)CC1.
What is the InChIKey of 1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is CNMARNXJBYUOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-16(27)23-7-13-26(14-8-23)19-21-18(15-20-22-19)25-11-9-24(10-12-25)17-5-3-2-4-6-17/h2-6,15H,7-14H2,1H3.
What are the key properties of 1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone?
1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 367.46 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112947029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).