hydrazine;6-methyl-1,3-benzoxazole

C8H11N3O — CID 174445357

IUPAChydrazine;6-methyl-1,3-benzoxazole
SMILESCc1ccc2ncoc2c1.NN
InChIInChI=1S/C8H7NO.H4N2/c1-6-2-3-7-8(4-6)10-5-9-7;1-2/h2-5H,1H3;1-2H2
InChIKeyNTWMBHULIRBTGD-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.96
Rot. Bonds

About hydrazine;6-methyl-1,3-benzoxazole

hydrazine;6-methyl-1,3-benzoxazole (PubChem CID 174445357) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is hydrazine;6-methyl-1,3-benzoxazole.

Molecular Properties

Compound Namehydrazine;6-methyl-1,3-benzoxazole
PubChem CID174445357
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Namehydrazine;6-methyl-1,3-benzoxazole
SMILESCc1ccc2ncoc2c1.NN
InChIInChI=1S/C8H7NO.H4N2/c1-6-2-3-7-8(4-6)10-5-9-7;1-2/h2-5H,1H3;1-2H2
InChIKeyNTWMBHULIRBTGD-UHFFFAOYSA-N
XLogP0.96
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrazine;6-methyl-1,3-benzoxazole?
The IUPAC name of hydrazine;6-methyl-1,3-benzoxazole (CID 174445357) is hydrazine;6-methyl-1,3-benzoxazole.
What is the SMILES notation for hydrazine;6-methyl-1,3-benzoxazole?
The canonical SMILES for hydrazine;6-methyl-1,3-benzoxazole is Cc1ccc2ncoc2c1.NN.
What is the InChIKey of hydrazine;6-methyl-1,3-benzoxazole?
The InChIKey is NTWMBHULIRBTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.H4N2/c1-6-2-3-7-8(4-6)10-5-9-7;1-2/h2-5H,1H3;1-2H2.
What are the key properties of hydrazine;6-methyl-1,3-benzoxazole?
hydrazine;6-methyl-1,3-benzoxazole has a molecular weight of 165.20 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;6-methyl-1,3-benzoxazole is sourced from PubChem (CID 174445357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).