2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride

C8H12ClN5O2 — CID 162326957

IUPAC2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NN=C(N)NN=Cc1ccc(O)c(O)c1
InChIInChI=1S/C8H11N5O2.ClH/c9-8(12-10)13-11-4-5-1-2-6(14)7(15)3-5;/h1-4,14-15H,10H2,(H3,9,12,13);1H
InChIKeyRXOKWBKEAPJOGD-UHFFFAOYSA-N
MW245.67 g/mol
LogP-0.37
Rot. Bonds2

About 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride

2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 162326957) has the molecular formula C8H12ClN5O2 and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride
PubChem CID162326957
Molecular FormulaC8H12ClN5O2
Molecular Weight245.67 g/mol
Exact Mass245.07
IUPAC Name2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NN=C(N)NN=Cc1ccc(O)c(O)c1
InChIInChI=1S/C8H11N5O2.ClH/c9-8(12-10)13-11-4-5-1-2-6(14)7(15)3-5;/h1-4,14-15H,10H2,(H3,9,12,13);1H
InChIKeyRXOKWBKEAPJOGD-UHFFFAOYSA-N
XLogP-0.37
TPSA129.25 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 5-0.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis[(E)-(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride
CID 172961336
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-methylguanidine
CID 166950262
[(3,4-dihydroxyphenyl)methylideneamino]thiourea
CID 681134
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide
CID 135435759
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786728
2-amino-1-[(4-methylsulfanylphenyl)methylideneamino]guanidine
CID 74041348
2-amino-1-[(Z)-(4-methylsulfanylphenyl)methylideneamino]guanidine
CID 23274102
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-ethylthiourea
CID 135730861
N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide
CID 2317832
1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
CID 137255813
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide
CID 5021089

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride (CID 162326957) is 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride is Cl.NN=C(N)NN=Cc1ccc(O)c(O)c1.
What is the InChIKey of 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is RXOKWBKEAPJOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2.ClH/c9-8(12-10)13-11-4-5-1-2-6(14)7(15)3-5;/h1-4,14-15H,10H2,(H3,9,12,13);1H.
What are the key properties of 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride?
2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 245.67 g/mol, XLogP of -0.37, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 162326957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).