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

C11H17N7O2 — CID 116806821

IUPAC[4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(Oc2cnn(CC)c2)n1
InChIInChI=1S/C11H17N7O2/c1-3-5-19-10-14-9(17-12)15-11(16-10)20-8-6-13-18(4-2)7-8/h6-7H,3-5,12H2,1-2H3,(H,14,15,16,17)
InChIKeyPVAYXQUKWXJVEN-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.95
Rot. Bonds7

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

[4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 116806821) 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-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID116806821
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name[4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(Oc2cnn(CC)c2)n1
InChIInChI=1S/C11H17N7O2/c1-3-5-19-10-14-9(17-12)15-11(16-10)20-8-6-13-18(4-2)7-8/h6-7H,3-5,12H2,1-2H3,(H,14,15,16,17)
InChIKeyPVAYXQUKWXJVEN-UHFFFAOYSA-N
XLogP0.95
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
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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Related Compounds

[4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 116806768
N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116806261
[4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915901
[4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80924065
[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911575
N-ethyl-4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 116806108
[4-(1-ethylpyrazol-4-yl)oxyquinazolin-2-yl]hydrazine
CID 116806830
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
[4-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]hydrazine
CID 116806789
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 116806821) is [4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(Oc2cnn(CC)c2)n1.
What is the InChIKey of [4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is PVAYXQUKWXJVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-3-5-19-10-14-9(17-12)15-11(16-10)20-8-6-13-18(4-2)7-8/h6-7H,3-5,12H2,1-2H3,(H,14,15,16,17).
What are the key properties of [4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 279.30 g/mol, XLogP of 0.95, 7 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-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 116806821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).