N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide

C16H15N5O2 — CID 863008

IUPACN'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C16H15N5O2/c1-11-6-8-12(9-7-11)16(23)19-18-15(22)10-21-14-5-3-2-4-13(14)17-20-21/h2-9H,10H2,1H3,(H,18,22)(H,19,23)
InChIKeySEPZJNYABFTPDN-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.20
Rot. Bonds3

About N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide

N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide (PubChem CID 863008) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide
PubChem CID863008
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C16H15N5O2/c1-11-6-8-12(9-7-11)16(23)19-18-15(22)10-21-14-5-3-2-4-13(14)17-20-21/h2-9H,10H2,1H3,(H,18,22)(H,19,23)
InChIKeySEPZJNYABFTPDN-UHFFFAOYSA-N
XLogP1.20
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide (CID 863008) is N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide?
The InChIKey is SEPZJNYABFTPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11-6-8-12(9-7-11)16(23)19-18-15(22)10-21-14-5-3-2-4-13(14)17-20-21/h2-9H,10H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide?
N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide has a molecular weight of 309.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzotriazol-1-yl)acetyl]-4-methylbenzohydrazide is sourced from PubChem (CID 863008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).