N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane

C9H14N4O — CID 136652428

IUPACN-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane
SMILESCC.[H]/N=C/N=N/c1ccc(O)cc1N
InChIInChI=1S/C7H8N4O.C2H6/c8-4-10-11-7-2-1-5(12)3-6(7)9;1-2/h1-4,8,12H,9H2;1-2H3/b8-4+,11-10+;
InChIKeyNSQDCBGKKHZNGO-RKOYHRPASA-N
MW194.24 g/mol
LogP2.69
Rot. Bonds2

About N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane

N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane (PubChem CID 136652428) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane
PubChem CID136652428
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane
SMILESCC.[H]/N=C/N=N/c1ccc(O)cc1N
InChIInChI=1S/C7H8N4O.C2H6/c8-4-10-11-7-2-1-5(12)3-6(7)9;1-2/h1-4,8,12H,9H2;1-2H3/b8-4+,11-10+;
InChIKeyNSQDCBGKKHZNGO-RKOYHRPASA-N
XLogP2.69
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol
CID 159796589
3-amino-4-ethylphenol;hydrochloride
CID 178200309
4-methanimidoylphenol
CID 135768597
3-amino-4-nitrophenol;ethane
CID 142035460
3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol
CID 135585466
5-amino-4-methanimidoyl-2-methylphenol
CID 164586972
2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol
CID 137196775
3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine
CID 142525112
cesium 2-amino-4-hydroxybenzoate
CID 23687369
3-amino-4-hydrazinylphenol
CID 119000444
4-aminobenzene-1,3-diol;toluene
CID 143575569
4-amino-3-ethenylphenol
CID 123878625

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane (CID 136652428) is N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane is CC.[H]/N=C/N=N/c1ccc(O)cc1N.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane?
The InChIKey is NSQDCBGKKHZNGO-RKOYHRPASA-N. The full InChI is InChI=1S/C7H8N4O.C2H6/c8-4-10-11-7-2-1-5(12)3-6(7)9;1-2/h1-4,8,12H,9H2;1-2H3/b8-4+,11-10+;.
What are the key properties of N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane?
N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane has a molecular weight of 194.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane is sourced from PubChem (CID 136652428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).