N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide

C17H14N6O4 — CID 4796127

IUPACN'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N6O4/c24-15(9-23-21-16(19-22-23)11-4-2-1-3-5-11)18-20-17(25)12-6-7-13-14(8-12)27-10-26-13/h1-8H,9-10H2,(H,18,24)(H,20,25)
InChIKeyYDFZNDSQVUDYAE-UHFFFAOYSA-N
MW366.34 g/mol
LogP0.53
Rot. Bonds4

About N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide

N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 4796127) has the molecular formula C17H14N6O4 and a molecular weight of 366.34 g/mol. Its IUPAC name is N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID4796127
Molecular FormulaC17H14N6O4
Molecular Weight366.34 g/mol
Exact Mass366.11
IUPAC NameN'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N6O4/c24-15(9-23-21-16(19-22-23)11-4-2-1-3-5-11)18-20-17(25)12-6-7-13-14(8-12)27-10-26-13/h1-8H,9-10H2,(H,18,24)(H,20,25)
InChIKeyYDFZNDSQVUDYAE-UHFFFAOYSA-N
XLogP0.53
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
CID 9468291
4-(methoxymethyl)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 8635386
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 1080255
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 4789720
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1086744
N'-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 39714352
3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
CID 9468283
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9274630
1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 7225042
N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9400552
2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide
CID 9468304
2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 859093

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide (CID 4796127) is N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide is O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is YDFZNDSQVUDYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O4/c24-15(9-23-21-16(19-22-23)11-4-2-1-3-5-11)18-20-17(25)12-6-7-13-14(8-12)27-10-26-13/h1-8H,9-10H2,(H,18,24)(H,20,25).
What are the key properties of N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 366.34 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 4796127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).