4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide

C9H8FN5O2 — CID 130242142

IUPAC4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
SMILESCNC(=O)n1nnn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C9H8FN5O2/c1-11-8(16)15-9(17)14(12-13-15)7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,16)
InChIKeyCIAREOMXVJTUTJ-UHFFFAOYSA-N
MW237.19 g/mol
LogP-0.24
Rot. Bonds1

About 4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide

4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide (PubChem CID 130242142) has the molecular formula C9H8FN5O2 and a molecular weight of 237.19 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
PubChem CID130242142
Molecular FormulaC9H8FN5O2
Molecular Weight237.19 g/mol
Exact Mass237.07
IUPAC Name4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
SMILESCNC(=O)n1nnn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C9H8FN5O2/c1-11-8(16)15-9(17)14(12-13-15)7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,16)
InChIKeyCIAREOMXVJTUTJ-UHFFFAOYSA-N
XLogP-0.24
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]piperazin-1-yl] N,N-diethylcarbamate
CID 130221706
1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one
CID 86567734
1-(3-fluorophenyl)-4-(2-prop-1-ynylpyrrolidine-1-carbonyl)tetrazol-5-one
CID 130241736
1-(3-fluorophenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]tetrazol-5-one
CID 86567392
N-ethyl-N-[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 86567593
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate
CID 130220779
methyl 1-(3-fluorophenyl)-5-methyltriazole-4-carboxylate
CID 94068963
[1-[4-(3-fluorophenyl)-5-oxotetrazole-1-carbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl] methyl carbonate
CID 130221707
methyl 5-ethyl-1-(3-fluorophenyl)triazole-4-carboxylate
CID 94068964
methyl 3-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxylate
CID 57337677
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate
CID 130221153
1-(3-fluorophenyl)-5-propan-2-yltriazole-4-carboxylic acid
CID 43325066

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide (CID 130242142) is 4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide is CNC(=O)n1nnn(-c2cccc(F)c2)c1=O.
What is the InChIKey of 4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide?
The InChIKey is CIAREOMXVJTUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O2/c1-11-8(16)15-9(17)14(12-13-15)7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,16).
What are the key properties of 4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide?
4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide has a molecular weight of 237.19 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 130242142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).