N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide

C20H18N6O3 — CID 39430911

IUPACN'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide
SMILESO=C(CCn1nnc2ccccc2c1=O)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H18N6O3/c27-18(9-10-26-20(29)15-6-2-4-8-17(15)22-25-26)23-24-19(28)11-13-12-21-16-7-3-1-5-14(13)16/h1-8,12,21H,9-11H2,(H,23,27)(H,24,28)
InChIKeyZOXPNUMNKACTBN-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.05
Rot. Bonds5

About N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide

N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide (PubChem CID 39430911) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide
PubChem CID39430911
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide
SMILESO=C(CCn1nnc2ccccc2c1=O)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H18N6O3/c27-18(9-10-26-20(29)15-6-2-4-8-17(15)22-25-26)23-24-19(28)11-13-12-21-16-7-3-1-5-14(13)16/h1-8,12,21H,9-11H2,(H,23,27)(H,24,28)
InChIKeyZOXPNUMNKACTBN-UHFFFAOYSA-N
XLogP1.05
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide (CID 39430911) is N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide is O=C(CCn1nnc2ccccc2c1=O)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide?
The InChIKey is ZOXPNUMNKACTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c27-18(9-10-26-20(29)15-6-2-4-8-17(15)22-25-26)23-24-19(28)11-13-12-21-16-7-3-1-5-14(13)16/h1-8,12,21H,9-11H2,(H,23,27)(H,24,28).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide has a molecular weight of 390.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide is sourced from PubChem (CID 39430911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).