2-(5-methyltetrazol-1-yl)acetyl chloride

C4H5ClN4O — CID 165357102

IUPAC2-(5-methyltetrazol-1-yl)acetyl chloride
SMILESCc1nnnn1CC(=O)Cl
InChIInChI=1S/C4H5ClN4O/c1-3-6-7-8-9(3)2-4(5)10/h2H2,1H3
InChIKeyKSZIOTDKBYOYLJ-UHFFFAOYSA-N
MW160.56 g/mol
LogP-0.25
Rot. Bonds2

About 2-(5-methyltetrazol-1-yl)acetyl chloride

2-(5-methyltetrazol-1-yl)acetyl chloride (PubChem CID 165357102) has the molecular formula C4H5ClN4O and a molecular weight of 160.56 g/mol. Its IUPAC name is 2-(5-methyltetrazol-1-yl)acetyl chloride.

Molecular Properties

Compound Name2-(5-methyltetrazol-1-yl)acetyl chloride
PubChem CID165357102
Molecular FormulaC4H5ClN4O
Molecular Weight160.56 g/mol
Exact Mass160.02
IUPAC Name2-(5-methyltetrazol-1-yl)acetyl chloride
SMILESCc1nnnn1CC(=O)Cl
InChIInChI=1S/C4H5ClN4O/c1-3-6-7-8-9(3)2-4(5)10/h2H2,1H3
InChIKeyKSZIOTDKBYOYLJ-UHFFFAOYSA-N
XLogP-0.25
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-methyltetrazol-1-yl)acetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methyltetrazol-1-yl)acetamide
CID 71946280
N-methoxy-2-(5-methyltetrazol-1-yl)acetamide
CID 127012088
1-(2-bromoprop-2-enyl)-5-methyltetrazole
CID 130619232
3-(5-methyltetrazol-1-yl)propanoate
CID 7219833
methyl 3-(5-methyltetrazol-1-yl)propanoate
CID 59922425
2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid
CID 21482131
2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride
CID 103098263
5-methyl-1-(3-methylbut-2-enyl)tetrazole
CID 130645043
5-methyl-1-pentyltetrazole
CID 67274114
3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82509687
ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate
CID 90642861
5-methyl-1-octyltetrazole
CID 20685309

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltetrazol-1-yl)acetyl chloride?
The IUPAC name of 2-(5-methyltetrazol-1-yl)acetyl chloride (CID 165357102) is 2-(5-methyltetrazol-1-yl)acetyl chloride.
What is the SMILES notation for 2-(5-methyltetrazol-1-yl)acetyl chloride?
The canonical SMILES for 2-(5-methyltetrazol-1-yl)acetyl chloride is Cc1nnnn1CC(=O)Cl.
What is the InChIKey of 2-(5-methyltetrazol-1-yl)acetyl chloride?
The InChIKey is KSZIOTDKBYOYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN4O/c1-3-6-7-8-9(3)2-4(5)10/h2H2,1H3.
What are the key properties of 2-(5-methyltetrazol-1-yl)acetyl chloride?
2-(5-methyltetrazol-1-yl)acetyl chloride has a molecular weight of 160.56 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltetrazol-1-yl)acetyl chloride is sourced from PubChem (CID 165357102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).