N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide

C18H15N7O — CID 679121

IUPACN-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H15N7O/c26-17(12-25-23-18(22-24-25)13-6-2-1-3-7-13)21-20-11-14-10-19-16-9-5-4-8-15(14)16/h1-11,19H,12H2,(H,21,26)
InChIKeyMPXYWJURDSCOEF-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.97
Rot. Bonds5

About N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide

N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 679121) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID679121
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC NameN-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H15N7O/c26-17(12-25-23-18(22-24-25)13-6-2-1-3-7-13)21-20-11-14-10-19-16-9-5-4-8-15(14)16/h1-11,19H,12H2,(H,21,26)
InChIKeyMPXYWJURDSCOEF-UHFFFAOYSA-N
XLogP1.97
TPSA100.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 947907
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8524097
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3762135
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 1079468
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 770367
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 119055721
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135641994
N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 5235899

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide (CID 679121) is N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is MPXYWJURDSCOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c26-17(12-25-23-18(22-24-25)13-6-2-1-3-7-13)21-20-11-14-10-19-16-9-5-4-8-15(14)16/h1-11,19H,12H2,(H,21,26).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 345.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 679121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).