4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

C11H21N7O2 — CID 103542142

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOC1CN(c2nc(NN)nc(N(C)C)n2)CC1OC
InChIInChI=1S/C11H21N7O2/c1-17(2)10-13-9(16-12)14-11(15-10)18-5-7(19-3)8(6-18)20-4/h7-8H,5-6,12H2,1-4H3,(H,13,14,15,16)
InChIKeyCJXMMLTUBDHIJM-UHFFFAOYSA-N
MW283.34 g/mol
LogP-0.93
Rot. Bonds5

About 4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 103542142) has the molecular formula C11H21N7O2 and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID103542142
Molecular FormulaC11H21N7O2
Molecular Weight283.34 g/mol
Exact Mass283.18
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOC1CN(c2nc(NN)nc(N(C)C)n2)CC1OC
InChIInChI=1S/C11H21N7O2/c1-17(2)10-13-9(16-12)14-11(15-10)18-5-7(19-3)8(6-18)20-4/h7-8H,5-6,12H2,1-4H3,(H,13,14,15,16)
InChIKeyCJXMMLTUBDHIJM-UHFFFAOYSA-N
XLogP-0.93
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 103542142) is 4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is COC1CN(c2nc(NN)nc(N(C)C)n2)CC1OC.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is CJXMMLTUBDHIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O2/c1-17(2)10-13-9(16-12)14-11(15-10)18-5-7(19-3)8(6-18)20-4/h7-8H,5-6,12H2,1-4H3,(H,13,14,15,16).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 283.34 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103542142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).