2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide

C10H10ClN5O — CID 9421680

IUPAC2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nnnc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN5O/c1-12-9(17)6-16-10(13-14-15-16)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,17)
InChIKeyAHTQHHZOJVKQAP-UHFFFAOYSA-N
MW251.68 g/mol
LogP0.74
Rot. Bonds3

About 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide

2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide (PubChem CID 9421680) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide
PubChem CID9421680
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nnnc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN5O/c1-12-9(17)6-16-10(13-14-15-16)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,17)
InChIKeyAHTQHHZOJVKQAP-UHFFFAOYSA-N
XLogP0.74
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421929
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9421568
N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-1-yl]acetamide
CID 9421628
N-methyl-2-(5-thiophen-3-yltetrazol-1-yl)acetamide
CID 146134384
3-[5-(4-chlorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047456
N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
CID 9421663
methyl 5-(4-chlorophenyl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103105508
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46262678
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
CID 15007346
4-[5-(4-chlorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541235
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 9421475
3-[5-(4-chlorophenyl)tetrazol-1-yl]-1-phenylpropan-1-one
CID 46890515

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide (CID 9421680) is 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nnnc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide?
The InChIKey is AHTQHHZOJVKQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-12-9(17)6-16-10(13-14-15-16)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,17).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide?
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide has a molecular weight of 251.68 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 9421680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).