[4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine

C9H12ClN7O — CID 80903936

IUPAC[4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(-n2cc(Cl)c(C)n2)n1
InChIInChI=1S/C9H12ClN7O/c1-3-18-9-13-7(15-11)12-8(14-9)17-4-6(10)5(2)16-17/h4H,3,11H2,1-2H3,(H,12,13,14,15)
InChIKeyGRWSEAIESHMTQF-UHFFFAOYSA-N
MW269.70 g/mol
LogP0.70
Rot. Bonds4

About [4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine

[4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80903936) has the molecular formula C9H12ClN7O and a molecular weight of 269.70 g/mol. Its IUPAC name is [4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80903936
Molecular FormulaC9H12ClN7O
Molecular Weight269.70 g/mol
Exact Mass269.08
IUPAC Name[4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(-n2cc(Cl)c(C)n2)n1
InChIInChI=1S/C9H12ClN7O/c1-3-18-9-13-7(15-11)12-8(14-9)17-4-6(10)5(2)16-17/h4H,3,11H2,1-2H3,(H,12,13,14,15)
InChIKeyGRWSEAIESHMTQF-UHFFFAOYSA-N
XLogP0.70
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 50.70
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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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine (CID 80903936) is [4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine is CCOc1nc(NN)nc(-n2cc(Cl)c(C)n2)n1.
What is the InChIKey of [4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is GRWSEAIESHMTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN7O/c1-3-18-9-13-7(15-11)12-8(14-9)17-4-6(10)5(2)16-17/h4H,3,11H2,1-2H3,(H,12,13,14,15).
What are the key properties of [4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 269.70 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80903936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).