2-(5-chlorotetrazol-1-yl)-N-methylacetamide

C4H6ClN5O — CID 12810766

IUPAC2-(5-chlorotetrazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1nnnc1Cl
InChIInChI=1S/C4H6ClN5O/c1-6-3(11)2-10-4(5)7-8-9-10/h2H2,1H3,(H,6,11)
InChIKeyLUGDKBPYNWKORI-UHFFFAOYSA-N
MW175.58 g/mol
LogP-0.93
Rot. Bonds2

About 2-(5-chlorotetrazol-1-yl)-N-methylacetamide

2-(5-chlorotetrazol-1-yl)-N-methylacetamide (PubChem CID 12810766) has the molecular formula C4H6ClN5O and a molecular weight of 175.58 g/mol. Its IUPAC name is 2-(5-chlorotetrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chlorotetrazol-1-yl)-N-methylacetamide
PubChem CID12810766
Molecular FormulaC4H6ClN5O
Molecular Weight175.58 g/mol
Exact Mass175.03
IUPAC Name2-(5-chlorotetrazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1nnnc1Cl
InChIInChI=1S/C4H6ClN5O/c1-6-3(11)2-10-4(5)7-8-9-10/h2H2,1H3,(H,6,11)
InChIKeyLUGDKBPYNWKORI-UHFFFAOYSA-N
XLogP-0.93
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 ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorotetrazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5-chlorotetrazol-1-yl)-N-methylacetamide (CID 12810766) is 2-(5-chlorotetrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-chlorotetrazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-chlorotetrazol-1-yl)-N-methylacetamide is CNC(=O)Cn1nnnc1Cl.
What is the InChIKey of 2-(5-chlorotetrazol-1-yl)-N-methylacetamide?
The InChIKey is LUGDKBPYNWKORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN5O/c1-6-3(11)2-10-4(5)7-8-9-10/h2H2,1H3,(H,6,11).
What are the key properties of 2-(5-chlorotetrazol-1-yl)-N-methylacetamide?
2-(5-chlorotetrazol-1-yl)-N-methylacetamide has a molecular weight of 175.58 g/mol, XLogP of -0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorotetrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 12810766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).