N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide

C11H13N5O — CID 9419682

IUPACN,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide
SMILESCN(C)C(=O)Cn1nnnc1-c1ccccc1
InChIInChI=1S/C11H13N5O/c1-15(2)10(17)8-16-11(12-13-14-16)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyQQWWIYAAPWTWNV-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.43
Rot. Bonds3

About N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide

N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide (PubChem CID 9419682) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide
PubChem CID9419682
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide
SMILESCN(C)C(=O)Cn1nnnc1-c1ccccc1
InChIInChI=1S/C11H13N5O/c1-15(2)10(17)8-16-11(12-13-14-16)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyQQWWIYAAPWTWNV-UHFFFAOYSA-N
XLogP0.43
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide (CID 9419682) is N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide is CN(C)C(=O)Cn1nnnc1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide?
The InChIKey is QQWWIYAAPWTWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-15(2)10(17)8-16-11(12-13-14-16)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide?
N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide has a molecular weight of 231.26 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide is sourced from PubChem (CID 9419682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).