[4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine

C10H12N8O — CID 113461427

IUPAC[4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESC#CC(C)(C)Oc1nc(NN)nc(-n2cncn2)n1
InChIInChI=1S/C10H12N8O/c1-4-10(2,3)19-9-15-7(17-11)14-8(16-9)18-6-12-5-13-18/h1,5-6H,11H2,2-3H3,(H,14,15,16,17)
InChIKeyCAYOLRBIULXTIZ-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.47
Rot. Bonds4

About [4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine

[4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 113461427) has the molecular formula C10H12N8O and a molecular weight of 260.26 g/mol. Its IUPAC name is [4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID113461427
Molecular FormulaC10H12N8O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name[4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESC#CC(C)(C)Oc1nc(NN)nc(-n2cncn2)n1
InChIInChI=1S/C10H12N8O/c1-4-10(2,3)19-9-15-7(17-11)14-8(16-9)18-6-12-5-13-18/h1,5-6H,11H2,2-3H3,(H,14,15,16,17)
InChIKeyCAYOLRBIULXTIZ-UHFFFAOYSA-N
XLogP-0.47
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[4-cyclohexyloxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80909888
4-hydrazinyl-N-(3-methoxypropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80942901
1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80922653
4-hydrazinyl-N-(2-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80919626
N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80894340
[4-(4,5-dimethylimidazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80900370
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680
N-ethyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80900792
[4-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80912010
methyl 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80923175
4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 113488474
4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (CID 113461427) is [4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is C#CC(C)(C)Oc1nc(NN)nc(-n2cncn2)n1.
What is the InChIKey of [4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is CAYOLRBIULXTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8O/c1-4-10(2,3)19-9-15-7(17-11)14-8(16-9)18-6-12-5-13-18/h1,5-6H,11H2,2-3H3,(H,14,15,16,17).
What are the key properties of [4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
[4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 260.26 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 113461427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).