3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine

C9H13N5O — CID 175345230

IUPAC3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine
SMILES[H]/N=C(\N=C(N)N)N(CO)c1ccccc1
InChIInChI=1S/C9H13N5O/c10-8(11)13-9(12)14(6-15)7-4-2-1-3-5-7/h1-5,15H,6H2,(H5,10,11,12,13)
InChIKeyLITCVZHGLFUIHJ-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.35
Rot. Bonds2

About 3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine

3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine (PubChem CID 175345230) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine
PubChem CID175345230
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine
SMILES[H]/N=C(\N=C(N)N)N(CO)c1ccccc1
InChIInChI=1S/C9H13N5O/c10-8(11)13-9(12)14(6-15)7-4-2-1-3-5-7/h1-5,15H,6H2,(H5,10,11,12,13)
InChIKeyLITCVZHGLFUIHJ-UHFFFAOYSA-N
XLogP-0.35
TPSA111.72 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine 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-chloro-3-(diaminomethylidene)-1-phenylguanidine
CID 54064404
1-[[amino-(diaminomethylideneamino)methylidene]amino]-3-(diaminomethylidene)-1-phenylguanidine
CID 174811284
3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine
CID 115563267
2-amino-1-(hydroxymethyl)-1-phenylguanidine
CID 141002742
1-benzyl-3-(diaminomethylidene)-1-(trifluoromethyl)guanidine;hydrochloride
CID 174865268
3-(diaminomethylidene)-1-(2,6-diethylphenyl)-1-propylguanidine
CID 22769649
1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine
CID 70442681
1-benzyl-1-phenylguanidine
CID 9460
1-phenyl-1-(2-sulfanylethyl)guanidine;hydrobromide
CID 131849253
1-phenyl-1-prop-2-enylguanidine
CID 95911307
3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine
CID 11971724
3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine
CID 20543698

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine?
The IUPAC name of 3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine (CID 175345230) is 3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine is [H]/N=C(\N=C(N)N)N(CO)c1ccccc1.
What is the InChIKey of 3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine?
The InChIKey is LITCVZHGLFUIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c10-8(11)13-9(12)14(6-15)7-4-2-1-3-5-7/h1-5,15H,6H2,(H5,10,11,12,13).
What are the key properties of 3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine?
3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine has a molecular weight of 207.24 g/mol, XLogP of -0.35, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine is sourced from PubChem (CID 175345230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).