[4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

C11H17N7O2 — CID 116806768

IUPAC[4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCn1cc(Oc2nc(NN)nc(OC(C)C)n2)cn1
InChIInChI=1S/C11H17N7O2/c1-4-18-6-8(5-13-18)20-11-15-9(17-12)14-10(16-11)19-7(2)3/h5-7H,4,12H2,1-3H3,(H,14,15,16,17)
InChIKeyAECMUTRVTQTJAG-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.95
Rot. Bonds6

About [4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

[4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 116806768) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is [4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID116806768
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name[4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCn1cc(Oc2nc(NN)nc(OC(C)C)n2)cn1
InChIInChI=1S/C11H17N7O2/c1-4-18-6-8(5-13-18)20-11-15-9(17-12)14-10(16-11)19-7(2)3/h5-7H,4,12H2,1-3H3,(H,14,15,16,17)
InChIKeyAECMUTRVTQTJAG-UHFFFAOYSA-N
XLogP0.95
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.95
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-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (CID 116806768) is [4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is CCn1cc(Oc2nc(NN)nc(OC(C)C)n2)cn1.
What is the InChIKey of [4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is AECMUTRVTQTJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-4-18-6-8(5-13-18)20-11-15-9(17-12)14-10(16-11)19-7(2)3/h5-7H,4,12H2,1-3H3,(H,14,15,16,17).
What are the key properties of [4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
[4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 279.30 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 116806768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).