2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide

C10H9N7O — CID 4139717

IUPAC2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide
SMILESN#Cc1ccccc1-c1nnn(CC(=O)NN)n1
InChIInChI=1S/C10H9N7O/c11-5-7-3-1-2-4-8(7)10-14-16-17(15-10)6-9(18)13-12/h1-4H,6,12H2,(H,13,18)
InChIKeyYHSXXZMSWBTKRR-UHFFFAOYSA-N
MW243.23 g/mol
LogP-0.80
Rot. Bonds3

About 2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide

2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide (PubChem CID 4139717) has the molecular formula C10H9N7O and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide.

Molecular Properties

Compound Name2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide
PubChem CID4139717
Molecular FormulaC10H9N7O
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide
SMILESN#Cc1ccccc1-c1nnn(CC(=O)NN)n1
InChIInChI=1S/C10H9N7O/c11-5-7-3-1-2-4-8(7)10-14-16-17(15-10)6-9(18)13-12/h1-4H,6,12H2,(H,13,18)
InChIKeyYHSXXZMSWBTKRR-UHFFFAOYSA-N
XLogP-0.80
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 1247175
N-(3-chloro-4-cyanophenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634919
N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 154801764
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350192
2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide
CID 155542685
N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4825124
N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3995748
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7350365
(2-cyanophenyl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825682
2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 858734
N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634827

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide?
The IUPAC name of 2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide (CID 4139717) is 2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide.
What is the SMILES notation for 2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide?
The canonical SMILES for 2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide is N#Cc1ccccc1-c1nnn(CC(=O)NN)n1.
What is the InChIKey of 2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide?
The InChIKey is YHSXXZMSWBTKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7O/c11-5-7-3-1-2-4-8(7)10-14-16-17(15-10)6-9(18)13-12/h1-4H,6,12H2,(H,13,18).
What are the key properties of 2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide?
2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide has a molecular weight of 243.23 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-cyanophenyl)tetrazol-2-yl]acetohydrazide is sourced from PubChem (CID 4139717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).