(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine

C13H13N7O — CID 80906719

IUPAC(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(OCc2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H13N7O/c14-19-11-16-12(20-7-6-15-9-20)18-13(17-11)21-8-10-4-2-1-3-5-10/h1-7,9H,8,14H2,(H,16,17,18,19)
InChIKeyLNMYXYVPISRHFE-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.92
Rot. Bonds5

About (4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine

(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80906719) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is (4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine
PubChem CID80906719
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(OCc2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H13N7O/c14-19-11-16-12(20-7-6-15-9-20)18-13(17-11)21-8-10-4-2-1-3-5-10/h1-7,9H,8,14H2,(H,16,17,18,19)
InChIKeyLNMYXYVPISRHFE-UHFFFAOYSA-N
XLogP0.92
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.92
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

N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80906950
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
CID 80925355
[4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80913168
4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80914496
N-ethyl-4-(furan-2-ylmethoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80844168
[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine
CID 80907359
4-hydrazinyl-6-imidazol-1-yl-N-(2-methylphenyl)-1,3,5-triazin-2-amine
CID 80912665
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80921833
N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80918567
4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943000

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine (CID 80906719) is (4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine is NNc1nc(OCc2ccccc2)nc(-n2ccnc2)n1.
What is the InChIKey of (4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is LNMYXYVPISRHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c14-19-11-16-12(20-7-6-15-9-20)18-13(17-11)21-8-10-4-2-1-3-5-10/h1-7,9H,8,14H2,(H,16,17,18,19).
What are the key properties of (4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine?
(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 283.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80906719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).