2-[(E)-1-pyridin-4-ylethylideneamino]guanidine

C8H11N5 — CID 15857248

IUPAC2-[(E)-1-pyridin-4-ylethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1ccncc1
InChIInChI=1S/C8H11N5/c1-6(12-13-8(9)10)7-2-4-11-5-3-7/h2-5H,1H3,(H4,9,10,13)/b12-6+
InChIKeyGFSHWYNRHCLFMR-WUXMJOGZSA-N
MW177.21 g/mol
LogP0.08
Rot. Bonds2

About 2-[(E)-1-pyridin-4-ylethylideneamino]guanidine

2-[(E)-1-pyridin-4-ylethylideneamino]guanidine (PubChem CID 15857248) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-[(E)-1-pyridin-4-ylethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-pyridin-4-ylethylideneamino]guanidine
PubChem CID15857248
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name2-[(E)-1-pyridin-4-ylethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1ccncc1
InChIInChI=1S/C8H11N5/c1-6(12-13-8(9)10)7-2-4-11-5-3-7/h2-5H,1H3,(H4,9,10,13)/b12-6+
InChIKeyGFSHWYNRHCLFMR-WUXMJOGZSA-N
XLogP0.08
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(E)-1-pyridin-4-ylethylideneamino]guanidine 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

2-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]guanidine
CID 9017548
(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
CID 135617987
2-[(E)-1-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261938
2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine
CID 89086080
2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
CID 54612215
N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide
CID 172958470
2-[(Z)-1-[3-[3,5-bis[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine
CID 176917440
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone
CID 50932502
(1-pyridin-4-ylethylideneamino) acetate
CID 585758
2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine
CID 135475507
[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]thiourea;hydrochloride
CID 54600853

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-pyridin-4-ylethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-pyridin-4-ylethylideneamino]guanidine (CID 15857248) is 2-[(E)-1-pyridin-4-ylethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-pyridin-4-ylethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-pyridin-4-ylethylideneamino]guanidine is C/C(=N\N=C(N)N)c1ccncc1.
What is the InChIKey of 2-[(E)-1-pyridin-4-ylethylideneamino]guanidine?
The InChIKey is GFSHWYNRHCLFMR-WUXMJOGZSA-N. The full InChI is InChI=1S/C8H11N5/c1-6(12-13-8(9)10)7-2-4-11-5-3-7/h2-5H,1H3,(H4,9,10,13)/b12-6+.
What are the key properties of 2-[(E)-1-pyridin-4-ylethylideneamino]guanidine?
2-[(E)-1-pyridin-4-ylethylideneamino]guanidine has a molecular weight of 177.21 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-pyridin-4-ylethylideneamino]guanidine is sourced from PubChem (CID 15857248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).