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

C12H23N5O2 — CID 80910606

IUPAC[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(OCCCC(C)C)n1
InChIInChI=1S/C12H23N5O2/c1-4-7-18-11-14-10(17-13)15-12(16-11)19-8-5-6-9(2)3/h9H,4-8,13H2,1-3H3,(H,14,15,16,17)
InChIKeyYFXPFYCQHAVALH-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.76
Rot. Bonds9

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

[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80910606) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is [4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80910606
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(OCCCC(C)C)n1
InChIInChI=1S/C12H23N5O2/c1-4-7-18-11-14-10(17-13)15-12(16-11)19-8-5-6-9(2)3/h9H,4-8,13H2,1-3H3,(H,14,15,16,17)
InChIKeyYFXPFYCQHAVALH-UHFFFAOYSA-N
XLogP1.76
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.76
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-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 115327810
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
(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
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 80910606) is [4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(OCCCC(C)C)n1.
What is the InChIKey of [4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is YFXPFYCQHAVALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-7-18-11-14-10(17-13)15-12(16-11)19-8-5-6-9(2)3/h9H,4-8,13H2,1-3H3,(H,14,15,16,17).
What are the key properties of [4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 269.35 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80910606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).