N-(quinazolin-8-ylmethylidene)hydroxylamine

C9H7N3O — CID 174842521

IUPACN-(quinazolin-8-ylmethylidene)hydroxylamine
SMILESON=Cc1cccc2cncnc12
InChIInChI=1S/C9H7N3O/c13-12-5-8-3-1-2-7-4-10-6-11-9(7)8/h1-6,13H
InChIKeyITYYOGUEKPRMDD-UHFFFAOYSA-N
MW173.18 g/mol
LogP1.44
Rot. Bonds1

About N-(quinazolin-8-ylmethylidene)hydroxylamine

N-(quinazolin-8-ylmethylidene)hydroxylamine (PubChem CID 174842521) has the molecular formula C9H7N3O and a molecular weight of 173.18 g/mol. Its IUPAC name is N-(quinazolin-8-ylmethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(quinazolin-8-ylmethylidene)hydroxylamine
PubChem CID174842521
Molecular FormulaC9H7N3O
Molecular Weight173.18 g/mol
Exact Mass173.06
IUPAC NameN-(quinazolin-8-ylmethylidene)hydroxylamine
SMILESON=Cc1cccc2cncnc12
InChIInChI=1S/C9H7N3O/c13-12-5-8-3-1-2-7-4-10-6-11-9(7)8/h1-6,13H
InChIKeyITYYOGUEKPRMDD-UHFFFAOYSA-N
XLogP1.44
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-(quinazolin-8-ylmethylidene)hydroxylamine?
The IUPAC name of N-(quinazolin-8-ylmethylidene)hydroxylamine (CID 174842521) is N-(quinazolin-8-ylmethylidene)hydroxylamine.
What is the SMILES notation for N-(quinazolin-8-ylmethylidene)hydroxylamine?
The canonical SMILES for N-(quinazolin-8-ylmethylidene)hydroxylamine is ON=Cc1cccc2cncnc12.
What is the InChIKey of N-(quinazolin-8-ylmethylidene)hydroxylamine?
The InChIKey is ITYYOGUEKPRMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-12-5-8-3-1-2-7-4-10-6-11-9(7)8/h1-6,13H.
What are the key properties of N-(quinazolin-8-ylmethylidene)hydroxylamine?
N-(quinazolin-8-ylmethylidene)hydroxylamine has a molecular weight of 173.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinazolin-8-ylmethylidene)hydroxylamine is sourced from PubChem (CID 174842521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).