1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine

C22H23N5 — CID 3480001

IUPAC1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine
SMILESCCCC(N(Nc1ccccc1)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C22H23N5/c1-2-11-22(27-21-17-10-9-16-20(21)23-25-27)26(19-14-7-4-8-15-19)24-18-12-5-3-6-13-18/h3-10,12-17,22,24H,2,11H2,1H3
InChIKeyZPSLANFGXFTUDJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.26
Rot. Bonds7

About 1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine

1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine (PubChem CID 3480001) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine.

Molecular Properties

Compound Name1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine
PubChem CID3480001
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine
SMILESCCCC(N(Nc1ccccc1)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C22H23N5/c1-2-11-22(27-21-17-10-9-16-20(21)23-25-27)26(19-14-7-4-8-15-19)24-18-12-5-3-6-13-18/h3-10,12-17,22,24H,2,11H2,1H3
InChIKeyZPSLANFGXFTUDJ-UHFFFAOYSA-N
XLogP5.26
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(benzotriazol-1-yl)butyl]aniline
CID 14661999
3-(benzotriazol-1-yl)hexan-2-one
CID 154962693
ethyl N-[1-(benzotriazol-1-yl)butyl]-N-methylcarbamodithioate
CID 44890355
2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine
CID 83044953
1-(1,1,1-trifluoropentan-2-yl)benzotriazole
CID 70935119
N-[1-(benzotriazol-1-yl)butyl]-3,5-dichloroaniline
CID 5167852
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820
(3S)-3-(benzotriazol-1-yl)butan-1-ol
CID 102325183
4-(benzotriazol-1-yl)-N-propylpentan-1-amine
CID 62448554
N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline
CID 6518439
4-[[(1S,2R)-1,2-bis(benzotriazol-1-yl)-2-(4-hydroxyanilino)ethyl]amino]phenol
CID 27191099

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine?
The IUPAC name of 1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine (CID 3480001) is 1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine.
What is the SMILES notation for 1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine?
The canonical SMILES for 1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine is CCCC(N(Nc1ccccc1)c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine?
The InChIKey is ZPSLANFGXFTUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-2-11-22(27-21-17-10-9-16-20(21)23-25-27)26(19-14-7-4-8-15-19)24-18-12-5-3-6-13-18/h3-10,12-17,22,24H,2,11H2,1H3.
What are the key properties of 1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine?
1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine has a molecular weight of 357.46 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine is sourced from PubChem (CID 3480001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).