nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine

C17H20N6O3 — CID 51056890

IUPACnitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine
SMILESN/C(=N\N=C/Cc1ccccc1)N/N=C/Cc1ccccc1.O=[N+]([O-])O
InChIInChI=1S/C17H19N5.HNO3/c18-17(21-19-13-11-15-7-3-1-4-8-15)22-20-14-12-16-9-5-2-6-10-16;2-1(3)4/h1-10,13-14H,11-12H2,(H3,18,21,22);(H,2,3,4)/b19-13-,20-14+;
InChIKeyZWQPYVVOBXHZNA-HIAXZNILSA-N
MW356.39 g/mol
LogP2.00
Rot. Bonds6

About nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine

nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine (PubChem CID 51056890) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine.

Molecular Properties

Compound Namenitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine
PubChem CID51056890
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Namenitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine
SMILESN/C(=N\N=C/Cc1ccccc1)N/N=C/Cc1ccccc1.O=[N+]([O-])O
InChIInChI=1S/C17H19N5.HNO3/c18-17(21-19-13-11-15-7-3-1-4-8-15)22-20-14-12-16-9-5-2-6-10-16;2-1(3)4/h1-10,13-14H,11-12H2,(H3,18,21,22);(H,2,3,4)/b19-13-,20-14+;
InChIKeyZWQPYVVOBXHZNA-HIAXZNILSA-N
XLogP2.00
TPSA138.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine
CID 174022397
2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide
CID 3396450
N-[(E)-2-phenylethylideneamino]butanamide
CID 17340082
methyl N'-(2-phenylethylideneamino)carbamimidothioate
CID 158206951
3-bromo-N-(2-phenylethylideneamino)benzamide
CID 4684181
2-(3-nitro-1,2,4-triazol-1-yl)-N-[(E)-2-phenylethylideneamino]acetamide
CID 7348324
N-(2-phenylethylideneamino)nonanamide
CID 3280851
1,2-bis[(E)-(4-cyanophenyl)methylideneamino]guanidine;nitric acid
CID 173457767
1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
N-(2-phenylethylideneamino)-2-propoxybenzamide
CID 4931468
2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922542
1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 136795111

Frequently Asked Questions

What is the IUPAC name of nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine?
The IUPAC name of nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine (CID 51056890) is nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine.
What is the SMILES notation for nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine?
The canonical SMILES for nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine is N/C(=N\N=C/Cc1ccccc1)N/N=C/Cc1ccccc1.O=[N+]([O-])O.
What is the InChIKey of nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine?
The InChIKey is ZWQPYVVOBXHZNA-HIAXZNILSA-N. The full InChI is InChI=1S/C17H19N5.HNO3/c18-17(21-19-13-11-15-7-3-1-4-8-15)22-20-14-12-16-9-5-2-6-10-16;2-1(3)4/h1-10,13-14H,11-12H2,(H3,18,21,22);(H,2,3,4)/b19-13-,20-14+;.
What are the key properties of nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine?
nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine has a molecular weight of 356.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine is sourced from PubChem (CID 51056890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).