2-phenyl-N-(2-propyltetrazol-5-yl)acetamide

C12H15N5O — CID 893243

IUPAC2-phenyl-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C12H15N5O/c1-2-8-17-15-12(14-16-17)13-11(18)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15,18)
InChIKeyMEYKACROFABGGY-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.26
Rot. Bonds5

About 2-phenyl-N-(2-propyltetrazol-5-yl)acetamide

2-phenyl-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 893243) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-phenyl-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID893243
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-phenyl-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C12H15N5O/c1-2-8-17-15-12(14-16-17)13-11(18)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15,18)
InChIKeyMEYKACROFABGGY-UHFFFAOYSA-N
XLogP1.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-phenyl-N-(2-propyltetrazol-5-yl)acetamide (CID 893243) is 2-phenyl-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-phenyl-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)Cc2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is MEYKACROFABGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-8-17-15-12(14-16-17)13-11(18)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15,18).
What are the key properties of 2-phenyl-N-(2-propyltetrazol-5-yl)acetamide?
2-phenyl-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 245.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 893243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).