1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine

C9H13N5O — CID 20983

IUPAC1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C9H13N5O/c1-15-7-4-2-6(3-5-7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
InChIKeyFKFRZIDBWCMAJU-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.09
Rot. Bonds2

About 1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine

1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine (PubChem CID 20983) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine
PubChem CID20983
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C9H13N5O/c1-15-7-4-2-6(3-5-7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
InChIKeyFKFRZIDBWCMAJU-UHFFFAOYSA-N
XLogP-0.09
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine (CID 20983) is 1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine is COc1ccc(/N=C(\N)N=C(N)N)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine?
The InChIKey is FKFRZIDBWCMAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-15-7-4-2-6(3-5-7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14).
What are the key properties of 1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine?
1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine has a molecular weight of 207.24 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 20983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).