4-(2-chlorophenyl)-1H-tetrazol-5-one

C7H5ClN4O — CID 135475583

IUPAC4-(2-chlorophenyl)-1H-tetrazol-5-one
SMILESO=c1[nH]nnn1-c1ccccc1Cl
InChIInChI=1S/C7H5ClN4O/c8-5-3-1-2-4-6(5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)
InChIKeyNTLCSWYRVIMNEI-UHFFFAOYSA-N
MW196.60 g/mol
LogP0.61
Rot. Bonds1

About 4-(2-chlorophenyl)-1H-tetrazol-5-one

4-(2-chlorophenyl)-1H-tetrazol-5-one (PubChem CID 135475583) has the molecular formula C7H5ClN4O and a molecular weight of 196.60 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1H-tetrazol-5-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1H-tetrazol-5-one
PubChem CID135475583
Molecular FormulaC7H5ClN4O
Molecular Weight196.60 g/mol
Exact Mass196.02
IUPAC Name4-(2-chlorophenyl)-1H-tetrazol-5-one
SMILESO=c1[nH]nnn1-c1ccccc1Cl
InChIInChI=1S/C7H5ClN4O/c8-5-3-1-2-4-6(5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)
InChIKeyNTLCSWYRVIMNEI-UHFFFAOYSA-N
XLogP0.61
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
CID 135496810
N-(2-Chlorophenyl)hydrazinecarboxamide
CID 2757855
Bicarbamimide, 2-(o-chlorophenyl)-3-methyl-
CID 215069
Urazole, 1-(o-chlorophenyl)-2-phenyl-
CID 3066027
1-(4-fluorophenyl)-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
CID 135528298
4-(4-Chlorophenyl)-1-phenylsemicarbazide
CID 4167003
1-Anilino-3-(2,5-dichlorophenyl)urea
CID 255872
1-(Azepan-1-yl)-3-(2-chlorophenyl)urea
CID 260170
2-Chlorophenylurea
CID 8236
3-Amino-1-(3-chlorophenyl)urea
CID 2757857
3-Amino-1-(4-chlorophenyl)urea
CID 2757859
4-(2-Chlorophenyl)-1,1-dimethylsemicarbazide
CID 3357810

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1H-tetrazol-5-one?
The IUPAC name of 4-(2-chlorophenyl)-1H-tetrazol-5-one (CID 135475583) is 4-(2-chlorophenyl)-1H-tetrazol-5-one.
What is the SMILES notation for 4-(2-chlorophenyl)-1H-tetrazol-5-one?
The canonical SMILES for 4-(2-chlorophenyl)-1H-tetrazol-5-one is O=c1[nH]nnn1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-1H-tetrazol-5-one?
The InChIKey is NTLCSWYRVIMNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O/c8-5-3-1-2-4-6(5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13).
What are the key properties of 4-(2-chlorophenyl)-1H-tetrazol-5-one?
4-(2-chlorophenyl)-1H-tetrazol-5-one has a molecular weight of 196.60 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1H-tetrazol-5-one is sourced from PubChem (CID 135475583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).