(4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine

C14H27N5O2 — CID 80906947

IUPAC(4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
SMILESCCCCCCC(C)Oc1nc(NN)nc(OCCC)n1
InChIInChI=1S/C14H27N5O2/c1-4-6-7-8-9-11(3)21-14-17-12(19-15)16-13(18-14)20-10-5-2/h11H,4-10,15H2,1-3H3,(H,16,17,18,19)
InChIKeyUYDXMATVFZTFKZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.68
Rot. Bonds11

About (4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine

(4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80906947) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
PubChem CID80906947
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name(4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
SMILESCCCCCCC(C)Oc1nc(NN)nc(OCCC)n1
InChIInChI=1S/C14H27N5O2/c1-4-6-7-8-9-11(3)21-14-17-12(19-15)16-13(18-14)20-10-5-2/h11H,4-10,15H2,1-3H3,(H,16,17,18,19)
InChIKeyUYDXMATVFZTFKZ-UHFFFAOYSA-N
XLogP2.68
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 115327810
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine
CID 80861953
2-N-octan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80800093
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
4-hydrazinyl-N,N-dimethyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989750
(4-cyclopentyloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80909474
[4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 107766293
(4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80923930
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453

Frequently Asked Questions

What is the IUPAC name of (4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine (CID 80906947) is (4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine is CCCCCCC(C)Oc1nc(NN)nc(OCCC)n1.
What is the InChIKey of (4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is UYDXMATVFZTFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-4-6-7-8-9-11(3)21-14-17-12(19-15)16-13(18-14)20-10-5-2/h11H,4-10,15H2,1-3H3,(H,16,17,18,19).
What are the key properties of (4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine?
(4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 297.40 g/mol, XLogP of 2.68, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80906947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).