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

C13H19N7O — CID 80907359

IUPAC[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC1CCCCC1Oc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c1-9-4-2-3-5-10(9)21-13-17-11(19-14)16-12(18-13)20-7-6-15-8-20/h6-10H,2-5,14H2,1H3,(H,16,17,18,19)
InChIKeyQPSRDYZYLIYANP-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.30
Rot. Bonds4

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

[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80907359) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is [4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80907359
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC1CCCCC1Oc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c1-9-4-2-3-5-10(9)21-13-17-11(19-14)16-12(18-13)20-7-6-15-8-20/h6-10H,2-5,14H2,1H3,(H,16,17,18,19)
InChIKeyQPSRDYZYLIYANP-UHFFFAOYSA-N
XLogP1.30
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.30
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

4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
CID 80858888
4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80844574
N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80918567
4-hydrazinyl-6-imidazol-1-yl-N-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 80938412
[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927857
4-hydrazinyl-6-imidazol-1-yl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 113464289
(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine
CID 80906719
N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80844946
4-hydrazinyl-6-imidazol-1-yl-N-(3-methylcyclobutyl)-1,3,5-triazin-2-amine
CID 113467607
[4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80913168
(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80906950
4-hydrazinyl-6-imidazol-1-yl-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 80912687

Frequently Asked Questions

What is the IUPAC name of [4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine (CID 80907359) is [4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine is CC1CCCCC1Oc1nc(NN)nc(-n2ccnc2)n1.
What is the InChIKey of [4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is QPSRDYZYLIYANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-9-4-2-3-5-10(9)21-13-17-11(19-14)16-12(18-13)20-7-6-15-8-20/h6-10H,2-5,14H2,1H3,(H,16,17,18,19).
What are the key properties of [4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine?
[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 289.34 g/mol, XLogP of 1.30, 4 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-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80907359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).