N'-amino-N-iminomethanimidamide;anthracene-9,10-dione

C15H12N4O2 — CID 19842632

IUPACN'-amino-N-iminomethanimidamide;anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2ccccc21.[H]/N=N/C=N/N
InChIInChI=1S/C14H8O2.CH4N4/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2-4-1-5-3/h1-8H;1-2H,3H2/b;4-2+,5-1+
InChIKeyKCIOFMGIWZYJIS-NISNEZCHSA-N
MW280.29 g/mol
LogP2.38
Rot. Bonds1

About N'-amino-N-iminomethanimidamide;anthracene-9,10-dione

N'-amino-N-iminomethanimidamide;anthracene-9,10-dione (PubChem CID 19842632) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N'-amino-N-iminomethanimidamide;anthracene-9,10-dione.

Molecular Properties

Compound NameN'-amino-N-iminomethanimidamide;anthracene-9,10-dione
PubChem CID19842632
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN'-amino-N-iminomethanimidamide;anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2ccccc21.[H]/N=N/C=N/N
InChIInChI=1S/C14H8O2.CH4N4/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2-4-1-5-3/h1-8H;1-2H,3H2/b;4-2+,5-1+
InChIKeyKCIOFMGIWZYJIS-NISNEZCHSA-N
XLogP2.38
TPSA108.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-N-iminomethanimidamide;anthracene-9,10-dione?
The IUPAC name of N'-amino-N-iminomethanimidamide;anthracene-9,10-dione (CID 19842632) is N'-amino-N-iminomethanimidamide;anthracene-9,10-dione.
What is the SMILES notation for N'-amino-N-iminomethanimidamide;anthracene-9,10-dione?
The canonical SMILES for N'-amino-N-iminomethanimidamide;anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2ccccc21.[H]/N=N/C=N/N.
What is the InChIKey of N'-amino-N-iminomethanimidamide;anthracene-9,10-dione?
The InChIKey is KCIOFMGIWZYJIS-NISNEZCHSA-N. The full InChI is InChI=1S/C14H8O2.CH4N4/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2-4-1-5-3/h1-8H;1-2H,3H2/b;4-2+,5-1+.
What are the key properties of N'-amino-N-iminomethanimidamide;anthracene-9,10-dione?
N'-amino-N-iminomethanimidamide;anthracene-9,10-dione has a molecular weight of 280.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-iminomethanimidamide;anthracene-9,10-dione is sourced from PubChem (CID 19842632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).