2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine

C14H15N5 — CID 84758899

IUPAC2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1Cc1cccc2ccccc12
InChIInChI=1S/C14H15N5/c15-8-9-19-14(16-17-18-19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2
InChIKeyWYFSZPOUMSIZPG-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.38
Rot. Bonds4

About 2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine

2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine (PubChem CID 84758899) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine
PubChem CID84758899
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1Cc1cccc2ccccc12
InChIInChI=1S/C14H15N5/c15-8-9-19-14(16-17-18-19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2
InChIKeyWYFSZPOUMSIZPG-UHFFFAOYSA-N
XLogP1.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine (CID 84758899) is 2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine is NCCn1nnnc1Cc1cccc2ccccc12.
What is the InChIKey of 2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine?
The InChIKey is WYFSZPOUMSIZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-8-9-19-14(16-17-18-19)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2.
What are the key properties of 2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine?
2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 84758899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).