2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide

C18H16N8O — CID 8978614

IUPAC2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1nnc2ccccc21)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H16N8O/c1-13(14-6-8-15(9-7-14)26-12-19-11-20-26)21-23-18(27)10-25-17-5-3-2-4-16(17)22-24-25/h2-9,11-12H,10H2,1H3,(H,23,27)/b21-13-
InChIKeyJIGRRFJHNAKRTB-BKUYFWCQSA-N
MW360.38 g/mol
LogP1.55
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide (PubChem CID 8978614) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide
PubChem CID8978614
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1nnc2ccccc21)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H16N8O/c1-13(14-6-8-15(9-7-14)26-12-19-11-20-26)21-23-18(27)10-25-17-5-3-2-4-16(17)22-24-25/h2-9,11-12H,10H2,1H3,(H,23,27)/b21-13-
InChIKeyJIGRRFJHNAKRTB-BKUYFWCQSA-N
XLogP1.55
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 8976213
[4-[(Z)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
CID 5435004
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 8975359
2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide
CID 4259013
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]acetamide
CID 6050680
2-(benzotriazol-1-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4259010
2-(benzotriazol-1-yl)-N-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 5080469
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 8975052
2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6523910
2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 134062871
2-(benzotriazol-1-yl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 6165268
2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide
CID 8975909

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide (CID 8978614) is 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide is C/C(=N/NC(=O)Cn1nnc2ccccc21)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide?
The InChIKey is JIGRRFJHNAKRTB-BKUYFWCQSA-N. The full InChI is InChI=1S/C18H16N8O/c1-13(14-6-8-15(9-7-14)26-12-19-11-20-26)21-23-18(27)10-25-17-5-3-2-4-16(17)22-24-25/h2-9,11-12H,10H2,1H3,(H,23,27)/b21-13-.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide has a molecular weight of 360.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide is sourced from PubChem (CID 8978614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).