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

C12H14N8O — CID 80901279

IUPAC[4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(-n2nnc3ccccc32)n1
InChIInChI=1S/C12H14N8O/c1-2-7-21-12-15-10(17-13)14-11(16-12)20-9-6-4-3-5-8(9)18-19-20/h3-6H,2,7,13H2,1H3,(H,14,15,16,17)
InChIKeySBRZSRAQHMESBM-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.68
Rot. Bonds5

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

[4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80901279) has the molecular formula C12H14N8O and a molecular weight of 286.30 g/mol. Its IUPAC name is [4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80901279
Molecular FormulaC12H14N8O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name[4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(-n2nnc3ccccc32)n1
InChIInChI=1S/C12H14N8O/c1-2-7-21-12-15-10(17-13)14-11(16-12)20-9-6-4-3-5-8(9)18-19-20/h3-6H,2,7,13H2,1H3,(H,14,15,16,17)
InChIKeySBRZSRAQHMESBM-UHFFFAOYSA-N
XLogP0.68
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.68
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'}

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Related Compounds

4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 80853407
6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80840784
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80901059
4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80854027
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
[4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80901290
4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
CID 1014695
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
[4-(furan-2-ylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909640
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80854145
[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80900110
[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine
CID 107542354

Frequently Asked Questions

What is the IUPAC name of [4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 80901279) is [4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(-n2nnc3ccccc32)n1.
What is the InChIKey of [4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is SBRZSRAQHMESBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8O/c1-2-7-21-12-15-10(17-13)14-11(16-12)20-9-6-4-3-5-8(9)18-19-20/h3-6H,2,7,13H2,1H3,(H,14,15,16,17).
What are the key properties of [4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 286.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80901279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).