(diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium

C8H11N4O2+ — CID 172510532

IUPAC(diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium
SMILESNC(N)=N[NH+]=Cc1cccc(O)c1O
InChIInChI=1S/C8H10N4O2/c9-8(10)12-11-4-5-2-1-3-6(13)7(5)14/h1-4,13-14H,(H4,9,10,12)/p+1
InChIKeyATEHHUARMAXMJM-UHFFFAOYSA-O
MW195.20 g/mol
LogP-2.21
Rot. Bonds2

About (diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium

(diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium (PubChem CID 172510532) has the molecular formula C8H11N4O2+ and a molecular weight of 195.20 g/mol. Its IUPAC name is (diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium.

Molecular Properties

Compound Name(diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium
PubChem CID172510532
Molecular FormulaC8H11N4O2+
Molecular Weight195.20 g/mol
Exact Mass195.09
IUPAC Name(diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium
SMILESNC(N)=N[NH+]=Cc1cccc(O)c1O
InChIInChI=1S/C8H10N4O2/c9-8(10)12-11-4-5-2-1-3-6(13)7(5)14/h1-4,13-14H,(H4,9,10,12)/p+1
InChIKeyATEHHUARMAXMJM-UHFFFAOYSA-O
XLogP-2.21
TPSA118.83 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-2.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxybenzaldehyde
CID 159243971
(Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium
CID 11862164
3-(2-hydroxyethyliminomethyl)benzene-1,2-diol
CID 135744038
(E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium
CID 135852459
(Z)-(5-bromo-2-methoxyphenyl)methylidene-(diaminomethylideneamino)azanium
CID 11865261
bis(2-[[4-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-hydroxyphenolate);2-hydroxy-6-[[4-[(3-hydroxy-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;titanium
CID 135987887
benzene-1,2,3-triol
CID 87074018
1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine
CID 172918115
1-amino-3-[(2,3-dihydroxyphenyl)methylidene]thiourea
CID 137047936
(diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium
CID 5210159
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
benzene-1,2,3-triol;bismuthane
CID 174447840

Frequently Asked Questions

What is the IUPAC name of (diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium?
The IUPAC name of (diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium (CID 172510532) is (diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium.
What is the SMILES notation for (diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium?
The canonical SMILES for (diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium is NC(N)=N[NH+]=Cc1cccc(O)c1O.
What is the InChIKey of (diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium?
The InChIKey is ATEHHUARMAXMJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N4O2/c9-8(10)12-11-4-5-2-1-3-6(13)7(5)14/h1-4,13-14H,(H4,9,10,12)/p+1.
What are the key properties of (diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium?
(diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium has a molecular weight of 195.20 g/mol, XLogP of -2.21, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (diaminomethylideneamino)-[(2,3-dihydroxyphenyl)methylidene]azanium is sourced from PubChem (CID 172510532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).