[4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine

C12H20N6O2 — CID 114045026

IUPAC[4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine
SMILESCCC1(C)CCN(c2nc(NN)ncc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H20N6O2/c1-3-12(2)4-6-17(7-5-12)10-9(18(19)20)8-14-11(15-10)16-13/h8H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyQJDBDNFSGUTQBC-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.69
Rot. Bonds4

About [4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine

[4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine (PubChem CID 114045026) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine
PubChem CID114045026
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name[4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine
SMILESCCC1(C)CCN(c2nc(NN)ncc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H20N6O2/c1-3-12(2)4-6-17(7-5-12)10-9(18(19)20)8-14-11(15-10)16-13/h8H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyQJDBDNFSGUTQBC-UHFFFAOYSA-N
XLogP1.69
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine (CID 114045026) is [4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine is CCC1(C)CCN(c2nc(NN)ncc2[N+](=O)[O-])CC1.
What is the InChIKey of [4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine?
The InChIKey is QJDBDNFSGUTQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-3-12(2)4-6-17(7-5-12)10-9(18(19)20)8-14-11(15-10)16-13/h8H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of [4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine?
[4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine has a molecular weight of 280.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114045026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).