2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide

C9H8N6O3 — CID 3054060

IUPAC2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide
SMILESNC(=O)Cc1nnnn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N6O3/c10-8(16)5-9-11-12-13-14(9)6-1-3-7(4-2-6)15(17)18/h1-4H,5H2,(H2,10,16)
InChIKeyNWGOVEDITYHBTJ-UHFFFAOYSA-N
MW248.20 g/mol
LogP-0.40
Rot. Bonds4

About 2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide

2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide (PubChem CID 3054060) has the molecular formula C9H8N6O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide
PubChem CID3054060
Molecular FormulaC9H8N6O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide
SMILESNC(=O)Cc1nnnn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N6O3/c10-8(16)5-9-11-12-13-14(9)6-1-3-7(4-2-6)15(17)18/h1-4H,5H2,(H2,10,16)
InChIKeyNWGOVEDITYHBTJ-UHFFFAOYSA-N
XLogP-0.40
TPSA129.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 2252796
4-[5-[1-(4-nitrophenyl)tetrazol-5-yl]tetrazol-1-yl]aniline
CID 57134720
5-[(3,5-dinitrophenyl)methylsulfanyl]-1-(4-nitrophenyl)tetrazole
CID 90683173
(1-phenyltetrazol-5-yl)methyl 3-nitrobenzoate
CID 27687882
N-[2-[1-(4-iodophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline
CID 2825330
N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline
CID 6004454
5-amino-1-(4-nitrophenyl)triazole-4-carboxylic acid
CID 66524061
4-[[1-(4-nitrophenyl)tetrazol-5-yl]methoxy]-5,6,7,8-tetrahydroquinoline
CID 139604263
5-[(3,5-dinitrophenyl)methylsulfinyl]-1-(4-nitrophenyl)tetrazole
CID 90683201
4-[5-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]sulfanyltetrazol-1-yl]benzoic acid
CID 157046604
sodium 4-nitro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenolate
CID 21233386
5-[(2-chloro-4-nitrophenoxy)methyl]-1-phenyltetrazole
CID 9440015

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide?
The IUPAC name of 2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide (CID 3054060) is 2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide.
What is the SMILES notation for 2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide?
The canonical SMILES for 2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide is NC(=O)Cc1nnnn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide?
The InChIKey is NWGOVEDITYHBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O3/c10-8(16)5-9-11-12-13-14(9)6-1-3-7(4-2-6)15(17)18/h1-4H,5H2,(H2,10,16).
What are the key properties of 2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide?
2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide has a molecular weight of 248.20 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide is sourced from PubChem (CID 3054060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).