N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide

C14H14N6O2 — CID 100694106

IUPACN'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
SMILESCn1nncc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N6O2/c1-20-12(8-16-19-20)14(22)18-17-13(21)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,15H,6H2,1H3,(H,17,21)(H,18,22)
InChIKeyWFBPFPYHUAOWOU-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.30
Rot. Bonds3

About N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide

N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide (PubChem CID 100694106) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
PubChem CID100694106
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
SMILESCn1nncc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N6O2/c1-20-12(8-16-19-20)14(22)18-17-13(21)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,15H,6H2,1H3,(H,17,21)(H,18,22)
InChIKeyWFBPFPYHUAOWOU-UHFFFAOYSA-N
XLogP0.30
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
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'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N'-[2-(1H-indol-3-yl)acetyl]-6-oxo-1-propylpyridazine-3-carbohydrazide
CID 31828416
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27036776
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 26901683
N'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide
CID 32754732
4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide
CID 51186249
N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
CID 51166893
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide (CID 100694106) is N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide is Cn1nncc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide?
The InChIKey is WFBPFPYHUAOWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-20-12(8-16-19-20)14(22)18-17-13(21)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,15H,6H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide has a molecular weight of 298.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide is sourced from PubChem (CID 100694106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).