1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine

C17H17N11 — CID 86279334

IUPAC1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine
SMILES[N-]=[N+]=NC/C(=N\N=C(/N)N/N=C(\CN=[N+]=[N-])c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N11/c18-17(25-23-15(11-21-27-19)13-7-3-1-4-8-13)26-24-16(12-22-28-20)14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,18,25,26)/b23-15+,24-16+
InChIKeyZDIZHDYTOAALKB-DFEHQXHXSA-N
MW375.40 g/mol
LogP3.32
Rot. Bonds8

About 1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine

1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine (PubChem CID 86279334) has the molecular formula C17H17N11 and a molecular weight of 375.40 g/mol. Its IUPAC name is 1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine.

Molecular Properties

Compound Name1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine
PubChem CID86279334
Molecular FormulaC17H17N11
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC Name1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine
SMILES[N-]=[N+]=NC/C(=N\N=C(/N)N/N=C(\CN=[N+]=[N-])c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N11/c18-17(25-23-15(11-21-27-19)13-7-3-1-4-8-13)26-24-16(12-22-28-20)14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,18,25,26)/b23-15+,24-16+
InChIKeyZDIZHDYTOAALKB-DFEHQXHXSA-N
XLogP3.32
TPSA172.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', '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

1,2-bis[(2-amino-1-phenylethylidene)amino]guanidine
CID 140813812
1,2-bis(1-phenylethylideneamino)guanidine
CID 145026276
N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide
CID 135052091
2-azido-1-phenylethanone;ethane
CID 90958641
2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine
CID 45034354
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
[(E)-1,2-diphenylethylideneamino]thiourea
CID 52945875
2-(1,2-diphenylethylideneamino)guanidine
CID 77060183
1-azido-3-phenylpropan-2-one
CID 14872260
(2-azido-1-phenylethyl)urea
CID 121416559
4-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91089657
[(3-chloro-1-phenylpropylidene)amino]thiourea
CID 174499987

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine?
The IUPAC name of 1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine (CID 86279334) is 1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine.
What is the SMILES notation for 1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine?
The canonical SMILES for 1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine is [N-]=[N+]=NC/C(=N\N=C(/N)N/N=C(\CN=[N+]=[N-])c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine?
The InChIKey is ZDIZHDYTOAALKB-DFEHQXHXSA-N. The full InChI is InChI=1S/C17H17N11/c18-17(25-23-15(11-21-27-19)13-7-3-1-4-8-13)26-24-16(12-22-28-20)14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,18,25,26)/b23-15+,24-16+.
What are the key properties of 1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine?
1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine has a molecular weight of 375.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine is sourced from PubChem (CID 86279334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).