1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine

C16H13N5O2 — CID 168606063

IUPAC1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine
SMILESNC(N)=N/C(N)=N/c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H13N5O2/c17-15(18)21-16(19)20-11-7-3-6-10-12(11)14(23)9-5-2-1-4-8(9)13(10)22/h1-7H,(H6,17,18,19,20,21)
InChIKeyWPIPNVWSTSAZGR-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.68
Rot. Bonds1

About 1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine

1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine (PubChem CID 168606063) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine
PubChem CID168606063
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine
SMILESNC(N)=N/C(N)=N/c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H13N5O2/c17-15(18)21-16(19)20-11-7-3-6-10-12(11)14(23)9-5-2-1-4-8(9)13(10)22/h1-7H,(H6,17,18,19,20,21)
InChIKeyWPIPNVWSTSAZGR-UHFFFAOYSA-N
XLogP0.68
TPSA136.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]guanidine
CID 168604612
N-[5-[[(9,10-dioxoanthracen-2-yl)-hydroxymethylidene]amino]-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracene-2-carboximidic acid
CID 170848279
2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-1,3-dioxoisoindol-2-yl]acetic acid
CID 168602060
1-(methyldiazenyl)anthracene-9,10-dione
CID 58592242
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
CID 158452185
CID 158452185
1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
CID 2730206
1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine
CID 2730227
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
N-[5-[[5-[[hydroxy(phenyl)methylidene]amino]-9,10-dioxoanthracen-1-yl]amino]-9,10-dioxoanthracen-1-yl]benzenecarboximidic acid
CID 136680233
1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine
CID 168602848
1-(diaminomethylidene)-2-(2,3-dimethyl-1,4-dioxophthalazin-5-yl)guanidine
CID 168605481

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine (CID 168606063) is 1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine is NC(N)=N/C(N)=N/c1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine?
The InChIKey is WPIPNVWSTSAZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c17-15(18)21-16(19)20-11-7-3-6-10-12(11)14(23)9-5-2-1-4-8(9)13(10)22/h1-7H,(H6,17,18,19,20,21).
What are the key properties of 1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine?
1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine has a molecular weight of 307.31 g/mol, XLogP of 0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine is sourced from PubChem (CID 168606063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).