1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide

C12H21N7O2 — CID 80900405

IUPAC1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCCOc1nc(NN)nc(N2CCC(C(=O)NC)CC2)n1
InChIInChI=1S/C12H21N7O2/c1-3-21-12-16-10(18-13)15-11(17-12)19-6-4-8(5-7-19)9(20)14-2/h8H,3-7,13H2,1-2H3,(H,14,20)(H,15,16,17,18)
InChIKeyAHLKEXQTRJAGIP-UHFFFAOYSA-N
MW295.35 g/mol
LogP-0.48
Rot. Bonds5

About 1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide

1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 80900405) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide
PubChem CID80900405
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCCOc1nc(NN)nc(N2CCC(C(=O)NC)CC2)n1
InChIInChI=1S/C12H21N7O2/c1-3-21-12-16-10(18-13)15-11(17-12)19-6-4-8(5-7-19)9(20)14-2/h8H,3-7,13H2,1-2H3,(H,14,20)(H,15,16,17,18)
InChIKeyAHLKEXQTRJAGIP-UHFFFAOYSA-N
XLogP-0.48
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide (CID 80900405) is 1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide is CCOc1nc(NN)nc(N2CCC(C(=O)NC)CC2)n1.
What is the InChIKey of 1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is AHLKEXQTRJAGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c1-3-21-12-16-10(18-13)15-11(17-12)19-6-4-8(5-7-19)9(20)14-2/h8H,3-7,13H2,1-2H3,(H,14,20)(H,15,16,17,18).
What are the key properties of 1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide?
1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 295.35 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 80900405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).