[(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium

C16H16N5+ — CID 163765370

IUPAC[(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium
SMILESN/N=N/C(=[NH2+])c1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C16H15N5/c17-16(19-20-18)14-6-7-15-13(10-14)8-9-21(15)11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,17,18,19)/p+1
InChIKeyMBUUHMQFIPRWAC-UHFFFAOYSA-O
MW278.34 g/mol
LogP1.52
Rot. Bonds3

About [(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium

[(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium (PubChem CID 163765370) has the molecular formula C16H16N5+ and a molecular weight of 278.34 g/mol. Its IUPAC name is [(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium.

Molecular Properties

Compound Name[(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium
PubChem CID163765370
Molecular FormulaC16H16N5+
Molecular Weight278.34 g/mol
Exact Mass278.14
IUPAC Name[(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium
SMILESN/N=N/C(=[NH2+])c1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C16H15N5/c17-16(19-20-18)14-6-7-15-13(10-14)8-9-21(15)11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,17,18,19)/p+1
InChIKeyMBUUHMQFIPRWAC-UHFFFAOYSA-O
XLogP1.52
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
1-benzyl-N-methylsulfonylindole-5-carboxamide
CID 171343054
1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
CID 142911235
(1-benzylindol-5-yl)boronic acid
CID 134128465
1-[(3-hydroxyphenyl)methyl]indole-5-carbothioamide
CID 107920653
2-(1-benzylindol-5-yl)acetic acid
CID 71441824
1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
CID 90075227
1-[(3,4-difluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
CID 89319036
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
1-benzyl-5-ethenylindole
CID 71373149
2-(1-benzylindol-5-yl)ethanethiol
CID 143923933
1-[(4-iodophenyl)methyl]indole-5-carboxylic acid
CID 65477829

Frequently Asked Questions

What is the IUPAC name of [(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium?
The IUPAC name of [(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium (CID 163765370) is [(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium.
What is the SMILES notation for [(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium?
The canonical SMILES for [(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium is N/N=N/C(=[NH2+])c1ccc2c(ccn2Cc2ccccc2)c1.
What is the InChIKey of [(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium?
The InChIKey is MBUUHMQFIPRWAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15N5/c17-16(19-20-18)14-6-7-15-13(10-14)8-9-21(15)11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,17,18,19)/p+1.
What are the key properties of [(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium?
[(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium has a molecular weight of 278.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium is sourced from PubChem (CID 163765370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).