1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone

C10H16N6O — CID 80928222

IUPAC1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(NN)n2)CC1
InChIInChI=1S/C10H16N6O/c1-8(17)15-4-6-16(7-5-15)9-2-3-12-10(13-9)14-11/h2-3H,4-7,11H2,1H3,(H,12,13,14)
InChIKeyUNGDHKJLHJHHKQ-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.57
Rot. Bonds2

About 1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone

1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 80928222) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID80928222
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(NN)n2)CC1
InChIInChI=1S/C10H16N6O/c1-8(17)15-4-6-16(7-5-15)9-2-3-12-10(13-9)14-11/h2-3H,4-7,11H2,1H3,(H,12,13,14)
InChIKeyUNGDHKJLHJHHKQ-UHFFFAOYSA-N
XLogP-0.57
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 80821422
1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 66903028
[4-(azocan-1-yl)pyrimidin-2-yl]hydrazine
CID 80932713
1-[4-[2-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888867
[4-(4-cyclopropylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80895559
1-[4-[2-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888936
2-[1-(2-hydrazinylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80904290
1-[4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888949
[4-(4-propan-2-ylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103504775
[4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80909583
ethyl 4-[2-(tert-butylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897885
2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226843

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 80928222) is 1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccnc(NN)n2)CC1.
What is the InChIKey of 1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is UNGDHKJLHJHHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-8(17)15-4-6-16(7-5-15)9-2-3-12-10(13-9)14-11/h2-3H,4-7,11H2,1H3,(H,12,13,14).
What are the key properties of 1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone?
1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 236.28 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 80928222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).