N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide

C14H16N6O — CID 90068351

IUPACN-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide
SMILES[H]/N=C/C(=C\N)CCNC(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C14H16N6O/c15-9-11(10-16)5-6-17-14(21)12-3-1-2-4-13(12)20-18-7-8-19-20/h1-4,7-10,15H,5-6,16H2,(H,17,21)/b11-10-,15-9+
InChIKeyZVPPIDRPJPCEJM-XDOJEHJTSA-N
MW284.32 g/mol
LogP0.88
Rot. Bonds6

About N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide

N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide (PubChem CID 90068351) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide
PubChem CID90068351
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide
SMILES[H]/N=C/C(=C\N)CCNC(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C14H16N6O/c15-9-11(10-16)5-6-17-14(21)12-3-1-2-4-13(12)20-18-7-8-19-20/h1-4,7-10,15H,5-6,16H2,(H,17,21)/b11-10-,15-9+
InChIKeyZVPPIDRPJPCEJM-XDOJEHJTSA-N
XLogP0.88
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-(triazol-2-yl)benzamide
CID 86713084
N-[2-[5-(4-chlorophenyl)pyrimidin-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 141478960
1-[2-(triazol-2-yl)phenyl]propan-1-one
CID 70794389
(2-fluorophenyl)-[2-(triazol-2-yl)phenyl]methanone
CID 102227880
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980
N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide
CID 76952740
3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide
CID 78888408
N-[3-[(6-methoxy-4-oxo-3H-quinazolin-2-yl)amino]propyl]-2-(triazol-2-yl)benzamide
CID 145233989
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
2-(1,2,4-triazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119060222

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide (CID 90068351) is N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide is [H]/N=C/C(=C\N)CCNC(=O)c1ccccc1-n1nccn1.
What is the InChIKey of N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide?
The InChIKey is ZVPPIDRPJPCEJM-XDOJEHJTSA-N. The full InChI is InChI=1S/C14H16N6O/c15-9-11(10-16)5-6-17-14(21)12-3-1-2-4-13(12)20-18-7-8-19-20/h1-4,7-10,15H,5-6,16H2,(H,17,21)/b11-10-,15-9+.
What are the key properties of N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide?
N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide has a molecular weight of 284.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-amino-3-methanimidoylbut-3-enyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 90068351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).