4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C11H22N6O2 — CID 80907927

IUPAC4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCOCC(C)CNc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C11H22N6O2/c1-7(2)19-11-15-9(14-10(16-11)17-12)13-5-8(3)6-18-4/h7-8H,5-6,12H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyKPXZGWBPINKTDL-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.64
Rot. Bonds8

About 4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80907927) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80907927
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Name4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCOCC(C)CNc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C11H22N6O2/c1-7(2)19-11-15-9(14-10(16-11)17-12)13-5-8(3)6-18-4/h7-8H,5-6,12H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyKPXZGWBPINKTDL-UHFFFAOYSA-N
XLogP0.64
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.64
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 4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80907927) is 4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is COCC(C)CNc1nc(NN)nc(OC(C)C)n1.
What is the InChIKey of 4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is KPXZGWBPINKTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2/c1-7(2)19-11-15-9(14-10(16-11)17-12)13-5-8(3)6-18-4/h7-8H,5-6,12H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 270.34 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(3-methoxy-2-methylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80907927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).