[4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

C12H22N6O2 — CID 103491759

IUPAC[4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCCOCC(C)Oc1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C12H22N6O2/c1-3-19-8-9(2)20-12-15-10(17-13)14-11(16-12)18-6-4-5-7-18/h9H,3-8,13H2,1-2H3,(H,14,15,16,17)
InChIKeyNGUNOTQDIQFKNQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.56
Rot. Bonds7

About [4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

[4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 103491759) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is [4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID103491759
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name[4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCCOCC(C)Oc1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C12H22N6O2/c1-3-19-8-9(2)20-12-15-10(17-13)14-11(16-12)18-6-4-5-7-18/h9H,3-8,13H2,1-2H3,(H,14,15,16,17)
InChIKeyNGUNOTQDIQFKNQ-UHFFFAOYSA-N
XLogP0.56
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
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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Related Compounds

N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80903537
4-(1-ethoxypropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 103491737
N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844224
[4-(4,4-dimethylpiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80919495
(4-piperazin-1-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80917805
[4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80930831
2-[4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80898063
[4-(3,3-dimethylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80923939
2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80793614
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 80944115
(4-cyclohexyloxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80905831

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 103491759) is [4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is CCOCC(C)Oc1nc(NN)nc(N2CCCC2)n1.
What is the InChIKey of [4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is NGUNOTQDIQFKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-3-19-8-9(2)20-12-15-10(17-13)14-11(16-12)18-6-4-5-7-18/h9H,3-8,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of [4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 282.35 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 103491759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).