[4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine

C12H10BrN7O — CID 80909898

IUPAC[4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(Oc2ccc(Br)cc2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H10BrN7O/c13-8-1-3-9(4-2-8)21-12-17-10(19-14)16-11(18-12)20-6-5-15-7-20/h1-7H,14H2,(H,16,17,18,19)
InChIKeyZACNSVVVJXRSKD-UHFFFAOYSA-N
MW348.16 g/mol
LogP1.90
Rot. Bonds4

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

[4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80909898) has the molecular formula C12H10BrN7O and a molecular weight of 348.16 g/mol. Its IUPAC name is [4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80909898
Molecular FormulaC12H10BrN7O
Molecular Weight348.16 g/mol
Exact Mass347.01
IUPAC Name[4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(Oc2ccc(Br)cc2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H10BrN7O/c13-8-1-3-9(4-2-8)21-12-17-10(19-14)16-11(18-12)20-6-5-15-7-20/h1-7H,14H2,(H,16,17,18,19)
InChIKeyZACNSVVVJXRSKD-UHFFFAOYSA-N
XLogP1.90
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 51.90
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

1-[2-(4-Bromophenoxy)ethyl]-1H-imidazole
CID 867248
1-[4-(4-Bromophenoxy)butyl]imidazole
CID 2843665
1-(3-(4-bromophenoxy)propyl)-1H-imidazole
CID 2843772
2-(4-Bromophenoxy)-1-(2,2-difluoroethyl)imidazole
CID 68280611
2-(4-Bromo-2-fluorophenoxy)-1-methylimidazole
CID 68280612
2-(2-Bromo-4-fluorophenoxy)-1-methylimidazole
CID 62132371
2-(2-Bromo-4-fluorophenoxy)-1-ethylimidazole
CID 62139509
2-(2-Bromo-4-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62869619
2-(4-Bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62870150
2-(4-Bromo-3-fluorophenoxy)-1-ethylimidazole
CID 65202520
2-(4-Bromo-3-fluorophenoxy)-1-methylimidazole
CID 65202906
2-(4-Bromo-3-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 65203398

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80909898) is [4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine is NNc1nc(Oc2ccc(Br)cc2)nc(-n2ccnc2)n1.
What is the InChIKey of [4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is ZACNSVVVJXRSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN7O/c13-8-1-3-9(4-2-8)21-12-17-10(19-14)16-11(18-12)20-6-5-15-7-20/h1-7H,14H2,(H,16,17,18,19).
What are the key properties of [4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 348.16 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80909898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).