[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine

C11H18N6O2 — CID 80896386

IUPAC[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
SMILESCCC1CCN(c2ncnc(NN)c2[N+](=O)[O-])CC1
InChIInChI=1S/C11H18N6O2/c1-2-8-3-5-16(6-4-8)11-9(17(18)19)10(15-12)13-7-14-11/h7-8H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyUCQHBPMRCBHHSN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.30
Rot. Bonds4

About [6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine

[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 80896386) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is [6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
PubChem CID80896386
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
SMILESCCC1CCN(c2ncnc(NN)c2[N+](=O)[O-])CC1
InChIInChI=1S/C11H18N6O2/c1-2-8-3-5-16(6-4-8)11-9(17(18)19)10(15-12)13-7-14-11/h7-8H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyUCQHBPMRCBHHSN-UHFFFAOYSA-N
XLogP1.30
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82688318
N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
[6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 83224307
[6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 102971973
N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504662
N-ethyl-6-(3-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 80792384
ethyl 1-[6-(ethylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23487096
1-[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80901623
1-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80919325
N-ethyl-6-(4-methylazepan-1-yl)-5-nitropyrimidin-4-amine
CID 80833797
N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23478680
1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxamide
CID 112725358

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine (CID 80896386) is [6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine is CCC1CCN(c2ncnc(NN)c2[N+](=O)[O-])CC1.
What is the InChIKey of [6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is UCQHBPMRCBHHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-2-8-3-5-16(6-4-8)11-9(17(18)19)10(15-12)13-7-14-11/h7-8H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of [6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine?
[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 266.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80896386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).