2-(1-naphthalen-1-yltetrazol-5-yl)acetamide

C13H11N5O — CID 3054061

IUPAC2-(1-naphthalen-1-yltetrazol-5-yl)acetamide
SMILESNC(=O)Cc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C13H11N5O/c14-12(19)8-13-15-16-17-18(13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,14,19)
InChIKeyZYXJPOFTSPDONY-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.84
Rot. Bonds3

About 2-(1-naphthalen-1-yltetrazol-5-yl)acetamide

2-(1-naphthalen-1-yltetrazol-5-yl)acetamide (PubChem CID 3054061) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(1-naphthalen-1-yltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-naphthalen-1-yltetrazol-5-yl)acetamide
PubChem CID3054061
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name2-(1-naphthalen-1-yltetrazol-5-yl)acetamide
SMILESNC(=O)Cc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C13H11N5O/c14-12(19)8-13-15-16-17-18(13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,14,19)
InChIKeyZYXJPOFTSPDONY-UHFFFAOYSA-N
XLogP0.84
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-yltetrazol-5-yl)acetamide?
The IUPAC name of 2-(1-naphthalen-1-yltetrazol-5-yl)acetamide (CID 3054061) is 2-(1-naphthalen-1-yltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-naphthalen-1-yltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(1-naphthalen-1-yltetrazol-5-yl)acetamide is NC(=O)Cc1nnnn1-c1cccc2ccccc12.
What is the InChIKey of 2-(1-naphthalen-1-yltetrazol-5-yl)acetamide?
The InChIKey is ZYXJPOFTSPDONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-12(19)8-13-15-16-17-18(13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,14,19).
What are the key properties of 2-(1-naphthalen-1-yltetrazol-5-yl)acetamide?
2-(1-naphthalen-1-yltetrazol-5-yl)acetamide has a molecular weight of 253.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-yltetrazol-5-yl)acetamide is sourced from PubChem (CID 3054061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).