(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine

C13H21N7O — CID 80906950

IUPAC(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESCCCCCCCOc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C13H21N7O/c1-2-3-4-5-6-9-21-13-17-11(19-14)16-12(18-13)20-8-7-15-10-20/h7-8,10H,2-6,9,14H2,1H3,(H,16,17,18,19)
InChIKeyAYSAKFARIXFFQP-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.69
Rot. Bonds9

About (4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine

(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80906950) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is (4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80906950
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESCCCCCCCOc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C13H21N7O/c1-2-3-4-5-6-9-21-13-17-11(19-14)16-12(18-13)20-8-7-15-10-20/h7-8,10H,2-6,9,14H2,1H3,(H,16,17,18,19)
InChIKeyAYSAKFARIXFFQP-UHFFFAOYSA-N
XLogP1.69
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
CID 80925355
(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine
CID 80906719
4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80870922
[4-imidazol-1-yl-6-(4-methylpentan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80913168
4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80858138
4-hydrazinyl-6-imidazol-1-yl-N,N-dipropyl-1,3,5-triazin-2-amine
CID 80931860
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294518
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
CID 80914978
N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80908114
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine
CID 80907359
N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80918567

Frequently Asked Questions

What is the IUPAC name of (4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine (CID 80906950) is (4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine is CCCCCCCOc1nc(NN)nc(-n2ccnc2)n1.
What is the InChIKey of (4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is AYSAKFARIXFFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-2-3-4-5-6-9-21-13-17-11(19-14)16-12(18-13)20-8-7-15-10-20/h7-8,10H,2-6,9,14H2,1H3,(H,16,17,18,19).
What are the key properties of (4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 291.36 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80906950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).