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

C12H14ClN5O2 — CID 80915901

IUPAC[4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H14ClN5O2/c1-2-7-19-11-15-10(18-14)16-12(17-11)20-9-5-3-8(13)4-6-9/h3-6H,2,7,14H2,1H3,(H,15,16,17,18)
InChIKeyKFXCZUMLPJUHEC-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.39
Rot. Bonds6

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

[4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80915901) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80915901
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name[4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H14ClN5O2/c1-2-7-19-11-15-10(18-14)16-12(17-11)20-9-5-3-8(13)4-6-9/h3-6H,2,7,14H2,1H3,(H,15,16,17,18)
InChIKeyKFXCZUMLPJUHEC-UHFFFAOYSA-N
XLogP2.39
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911575
[4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80924065
4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80874024
[4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 116806821
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80863734
[4-(4-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80917858
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 80915901) is [4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of [4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is KFXCZUMLPJUHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-2-7-19-11-15-10(18-14)16-12(17-11)20-9-5-3-8(13)4-6-9/h3-6H,2,7,14H2,1H3,(H,15,16,17,18).
What are the key properties of [4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 295.73 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80915901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).