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

C20H17N5O — CID 3839105

IUPACN'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide
SMILESO=C(NN(Cn1nnc2ccccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N5O/c26-20(16-9-3-1-4-10-16)22-24(17-11-5-2-6-12-17)15-25-19-14-8-7-13-18(19)21-23-25/h1-14H,15H2,(H,22,26)
InChIKeyPVFAMAAJMOSEDJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.24
Rot. Bonds5

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

N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide (PubChem CID 3839105) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide
PubChem CID3839105
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide
SMILESO=C(NN(Cn1nnc2ccccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N5O/c26-20(16-9-3-1-4-10-16)22-24(17-11-5-2-6-12-17)15-25-19-14-8-7-13-18(19)21-23-25/h1-14H,15H2,(H,22,26)
InChIKeyPVFAMAAJMOSEDJ-UHFFFAOYSA-N
XLogP3.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.24
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'-phenylpropanehydrazide
CID 4312040
N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide
CID 3739588
N-(benzotriazol-1-ylmethyl)-N-phenylnitrous amide
CID 3775401
1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3839558
3-(benzotriazol-1-yl)-1-phenylpropan-1-one
CID 3759222
1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3662418
N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline
CID 3575493
N-[1,3-bis(benzotriazol-1-yl)propyl]benzamide
CID 4564870
(E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine
CID 6525569
sodium 2-(benzotriazol-1-yl)acetate
CID 23711121
2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6523910
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546

Frequently Asked Questions

What is the IUPAC name of N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide?
The IUPAC name of N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide (CID 3839105) is N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide.
What is the SMILES notation for N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide?
The canonical SMILES for N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide is O=C(NN(Cn1nnc2ccccc21)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide?
The InChIKey is PVFAMAAJMOSEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-20(16-9-3-1-4-10-16)22-24(17-11-5-2-6-12-17)15-25-19-14-8-7-13-18(19)21-23-25/h1-14H,15H2,(H,22,26).
What are the key properties of N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide?
N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide has a molecular weight of 343.39 g/mol, XLogP of 3.24, 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'-phenylbenzohydrazide is sourced from PubChem (CID 3839105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).