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

C13H23N5O3 — CID 80924501

IUPAC[4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(OC2CCCC(OC)C2)n1
InChIInChI=1S/C13H23N5O3/c1-3-7-20-12-15-11(18-14)16-13(17-12)21-10-6-4-5-9(8-10)19-2/h9-10H,3-8,14H2,1-2H3,(H,15,16,17,18)
InChIKeyFCPQTXSVJYWJHO-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.28
Rot. Bonds7

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

[4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80924501) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is [4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80924501
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name[4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(OC2CCCC(OC)C2)n1
InChIInChI=1S/C13H23N5O3/c1-3-7-20-12-15-11(18-14)16-13(17-12)21-10-6-4-5-9(8-10)19-2/h9-10H,3-8,14H2,1-2H3,(H,15,16,17,18)
InChIKeyFCPQTXSVJYWJHO-UHFFFAOYSA-N
XLogP1.28
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.28
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-cyclopentyloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80909474
[4-(1-methylpiperidin-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80921167
[4-(3,5-dimethylcyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80925332
4-ethoxy-6-(3-methoxycyclohexyl)oxy-N-methyl-1,3,5-triazin-2-amine
CID 80876648
4-cyclobutyloxy-6-propoxy-1,3,5-triazin-2-amine
CID 80872035
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453
(4-cyclohexyloxy-6-methoxy-1,3,5-triazin-2-yl)hydrazine
CID 80910649
4-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80900563
[4-(3-methoxycyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80925744
N,N-diethyl-4-hydrazinyl-6-(3-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
CID 80906831
4-cycloheptyloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80913301
3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
CID 80921761

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 80924501) is [4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(OC2CCCC(OC)C2)n1.
What is the InChIKey of [4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is FCPQTXSVJYWJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-3-7-20-12-15-11(18-14)16-13(17-12)21-10-6-4-5-9(8-10)19-2/h9-10H,3-8,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of [4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 297.36 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxycyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80924501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).