1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C11H19N7O2 — CID 106322588

IUPAC1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(NN)nc(OC)n2)C1
InChIInChI=1S/C11H19N7O2/c1-11(7(19)13-2)4-5-18(6-11)9-14-8(17-12)15-10(16-9)20-3/h4-6,12H2,1-3H3,(H,13,19)(H,14,15,16,17)
InChIKeyYSGVFVVRAIOJHV-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.87
Rot. Bonds4

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

1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106322588) has the molecular formula C11H19N7O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106322588
Molecular FormulaC11H19N7O2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(NN)nc(OC)n2)C1
InChIInChI=1S/C11H19N7O2/c1-11(7(19)13-2)4-5-18(6-11)9-14-8(17-12)15-10(16-9)20-3/h4-6,12H2,1-3H3,(H,13,19)(H,14,15,16,17)
InChIKeyYSGVFVVRAIOJHV-UHFFFAOYSA-N
XLogP-0.87
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.87
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-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106322588) is 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nc(NN)nc(OC)n2)C1.
What is the InChIKey of 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is YSGVFVVRAIOJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O2/c1-11(7(19)13-2)4-5-18(6-11)9-14-8(17-12)15-10(16-9)20-3/h4-6,12H2,1-3H3,(H,13,19)(H,14,15,16,17).
What are the key properties of 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106322588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).