N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide

C13H11N7O2 — CID 78828822

IUPACN'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1-n1cnnn1)c1ccc[nH]1
InChIInChI=1S/C13H11N7O2/c21-12(16-17-13(22)10-5-3-7-14-10)9-4-1-2-6-11(9)20-8-15-18-19-20/h1-8,14H,(H,16,21)(H,17,22)
InChIKeyDDIYBIBWFBIUAB-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.07
Rot. Bonds3

About N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide

N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78828822) has the molecular formula C13H11N7O2 and a molecular weight of 297.28 g/mol. Its IUPAC name is N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78828822
Molecular FormulaC13H11N7O2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC NameN'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1-n1cnnn1)c1ccc[nH]1
InChIInChI=1S/C13H11N7O2/c21-12(16-17-13(22)10-5-3-7-14-10)9-4-1-2-6-11(9)20-8-15-18-19-20/h1-8,14H,(H,16,21)(H,17,22)
InChIKeyDDIYBIBWFBIUAB-UHFFFAOYSA-N
XLogP0.07
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.07
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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Related Compounds

N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78887623
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide
CID 55333176
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide
CID 51278223
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide
CID 119456565
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
2-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 2442002
N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
CID 78773489

Frequently Asked Questions

What is the IUPAC name of N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide (CID 78828822) is N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)c1ccccc1-n1cnnn1)c1ccc[nH]1.
What is the InChIKey of N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is DDIYBIBWFBIUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O2/c21-12(16-17-13(22)10-5-3-7-14-10)9-4-1-2-6-11(9)20-8-15-18-19-20/h1-8,14H,(H,16,21)(H,17,22).
What are the key properties of N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide?
N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 297.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78828822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).