1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone

C13H23N7O — CID 71399541

IUPAC1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
SMILESCCCCc1nc(NN)nc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C13H23N7O/c1-3-4-5-11-15-12(18-14)17-13(16-11)20-8-6-19(7-9-20)10(2)21/h3-9,14H2,1-2H3,(H,15,16,17,18)
InChIKeyOAFSYFVSCRDYET-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.17
Rot. Bonds5

About 1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone

1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone (PubChem CID 71399541) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
PubChem CID71399541
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
SMILESCCCCc1nc(NN)nc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C13H23N7O/c1-3-4-5-11-15-12(18-14)17-13(16-11)20-8-6-19(7-9-20)10(2)21/h3-9,14H2,1-2H3,(H,15,16,17,18)
InChIKeyOAFSYFVSCRDYET-UHFFFAOYSA-N
XLogP0.17
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone (CID 71399541) is 1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone is CCCCc1nc(NN)nc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is OAFSYFVSCRDYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-3-4-5-11-15-12(18-14)17-13(16-11)20-8-6-19(7-9-20)10(2)21/h3-9,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of 1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 293.38 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butyl-6-hydrazinyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71399541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).