2-chloro-N-(2-methyltetrazol-5-yl)acetamide

C4H6ClN5O — CID 67707757

IUPAC2-chloro-N-(2-methyltetrazol-5-yl)acetamide
SMILESCn1nnc(NC(=O)CCl)n1
InChIInChI=1S/C4H6ClN5O/c1-10-8-4(7-9-10)6-3(11)2-5/h2H2,1H3,(H,6,8,11)
InChIKeyODCRYCQROUZAEI-UHFFFAOYSA-N
MW175.58 g/mol
LogP-0.61
Rot. Bonds2

About 2-chloro-N-(2-methyltetrazol-5-yl)acetamide

2-chloro-N-(2-methyltetrazol-5-yl)acetamide (PubChem CID 67707757) has the molecular formula C4H6ClN5O and a molecular weight of 175.58 g/mol. Its IUPAC name is 2-chloro-N-(2-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyltetrazol-5-yl)acetamide
PubChem CID67707757
Molecular FormulaC4H6ClN5O
Molecular Weight175.58 g/mol
Exact Mass175.03
IUPAC Name2-chloro-N-(2-methyltetrazol-5-yl)acetamide
SMILESCn1nnc(NC(=O)CCl)n1
InChIInChI=1S/C4H6ClN5O/c1-10-8-4(7-9-10)6-3(11)2-5/h2H2,1H3,(H,6,8,11)
InChIKeyODCRYCQROUZAEI-UHFFFAOYSA-N
XLogP-0.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-methyltetrazol-5-yl)acetamide (CID 67707757) is 2-chloro-N-(2-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methyltetrazol-5-yl)acetamide is Cn1nnc(NC(=O)CCl)n1.
What is the InChIKey of 2-chloro-N-(2-methyltetrazol-5-yl)acetamide?
The InChIKey is ODCRYCQROUZAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN5O/c1-10-8-4(7-9-10)6-3(11)2-5/h2H2,1H3,(H,6,8,11).
What are the key properties of 2-chloro-N-(2-methyltetrazol-5-yl)acetamide?
2-chloro-N-(2-methyltetrazol-5-yl)acetamide has a molecular weight of 175.58 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 67707757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).