4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

C14H19N7O — CID 6036961

IUPAC4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESCCN(CC)c1ccc(/C=N\N=C(\N)c2nonc2N)cc1
InChIInChI=1S/C14H19N7O/c1-3-21(4-2)11-7-5-10(6-8-11)9-17-18-13(15)12-14(16)20-22-19-12/h5-9H,3-4H2,1-2H3,(H2,15,18)(H2,16,20)/b17-9-
InChIKeyYRNGGGVUITZXDZ-MFOYZWKCSA-N
MW301.35 g/mol
LogP1.24
Rot. Bonds6

About 4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 6036961) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID6036961
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESCCN(CC)c1ccc(/C=N\N=C(\N)c2nonc2N)cc1
InChIInChI=1S/C14H19N7O/c1-3-21(4-2)11-7-5-10(6-8-11)9-17-18-13(15)12-14(16)20-22-19-12/h5-9H,3-4H2,1-2H3,(H2,15,18)(H2,16,20)/b17-9-
InChIKeyYRNGGGVUITZXDZ-MFOYZWKCSA-N
XLogP1.24
TPSA118.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide (CID 6036961) is 4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is CCN(CC)c1ccc(/C=N\N=C(\N)c2nonc2N)cc1.
What is the InChIKey of 4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is YRNGGGVUITZXDZ-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H19N7O/c1-3-21(4-2)11-7-5-10(6-8-11)9-17-18-13(15)12-14(16)20-22-19-12/h5-9H,3-4H2,1-2H3,(H2,15,18)(H2,16,20)/b17-9-.
What are the key properties of 4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 301.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 6036961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).