N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide

C16H17N5O — CID 4312040

IUPACN'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide
SMILESCCC(=O)NN(Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C16H17N5O/c1-2-16(22)18-20(13-8-4-3-5-9-13)12-21-15-11-7-6-10-14(15)17-19-21/h3-11H,2,12H2,1H3,(H,18,22)
InChIKeyQHFKRLOSQUWPNN-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.34
Rot. Bonds5

About N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide

N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide (PubChem CID 4312040) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide
PubChem CID4312040
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide
SMILESCCC(=O)NN(Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C16H17N5O/c1-2-16(22)18-20(13-8-4-3-5-9-13)12-21-15-11-7-6-10-14(15)17-19-21/h3-11H,2,12H2,1H3,(H,18,22)
InChIKeyQHFKRLOSQUWPNN-UHFFFAOYSA-N
XLogP2.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.34
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'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide
CID 3839105
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3839558
1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3662418
2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6523910
N-(benzotriazol-1-ylmethyl)-N-phenylnitrous amide
CID 3775401
N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline
CID 3575493
2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
CID 7504393
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
N-ethyl-N-phenylbenzotriazole-1-carboxamide
CID 66688521
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 8976213

Frequently Asked Questions

What is the IUPAC name of N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide?
The IUPAC name of N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide (CID 4312040) is N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide.
What is the SMILES notation for N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide?
The canonical SMILES for N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide is CCC(=O)NN(Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide?
The InChIKey is QHFKRLOSQUWPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-16(22)18-20(13-8-4-3-5-9-13)12-21-15-11-7-6-10-14(15)17-19-21/h3-11H,2,12H2,1H3,(H,18,22).
What are the key properties of N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide?
N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide has a molecular weight of 295.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide is sourced from PubChem (CID 4312040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).