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

C11H21N5O2 — CID 80909820

IUPAC[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(OCCC(C)C)n1
InChIInChI=1S/C11H21N5O2/c1-4-6-17-10-13-9(16-12)14-11(15-10)18-7-5-8(2)3/h8H,4-7,12H2,1-3H3,(H,13,14,15,16)
InChIKeyVZCWJJLAMQCVIE-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.37
Rot. Bonds8

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

[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80909820) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is [4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80909820
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(OCCC(C)C)n1
InChIInChI=1S/C11H21N5O2/c1-4-6-17-10-13-9(16-12)14-11(15-10)18-7-5-8(2)3/h8H,4-7,12H2,1-3H3,(H,13,14,15,16)
InChIKeyVZCWJJLAMQCVIE-UHFFFAOYSA-N
XLogP1.37
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(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-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156
(4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80906947
[4-propoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80923867
N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911001
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
[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
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 80909820) is [4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(OCCC(C)C)n1.
What is the InChIKey of [4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is VZCWJJLAMQCVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-6-17-10-13-9(16-12)14-11(15-10)18-7-5-8(2)3/h8H,4-7,12H2,1-3H3,(H,13,14,15,16).
What are the key properties of [4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 255.32 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80909820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).