2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide

C17H14N6O — CID 770367

IUPAC2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
SMILESO=C(Cn1nnc2ccccc21)NN=Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H14N6O/c24-17(11-23-16-8-4-3-7-15(16)20-22-23)21-19-10-12-9-18-14-6-2-1-5-13(12)14/h1-10,18H,11H2,(H,21,24)
InChIKeyDBWBHVXDIDRXNF-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.06
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide

2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide (PubChem CID 770367) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
PubChem CID770367
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
SMILESO=C(Cn1nnc2ccccc21)NN=Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H14N6O/c24-17(11-23-16-8-4-3-7-15(16)20-22-23)21-19-10-12-9-18-14-6-2-1-5-13(12)14/h1-10,18H,11H2,(H,21,24)
InChIKeyDBWBHVXDIDRXNF-UHFFFAOYSA-N
XLogP2.06
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-(benzotriazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135635859
2-(benzotriazol-1-yl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 155807833
2-[(Z)-[[2-(benzotriazol-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6115175
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
2-(benzotriazol-1-yl)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 136697516
2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 947907
2-(benzotriazol-1-yl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 4004517
2-(benzotriazol-1-yl)-N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]acetamide
CID 8976104
2-(benzotriazol-1-yl)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1110815
N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 679121
2-(benzotriazol-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 6014121
2-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 689343

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide (CID 770367) is 2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide is O=C(Cn1nnc2ccccc21)NN=Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide?
The InChIKey is DBWBHVXDIDRXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c24-17(11-23-16-8-4-3-7-15(16)20-22-23)21-19-10-12-9-18-14-6-2-1-5-13(12)14/h1-10,18H,11H2,(H,21,24).
What are the key properties of 2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide?
2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide has a molecular weight of 318.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide is sourced from PubChem (CID 770367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).