2-(tetrazol-1-yl)ethanamine

C3H7N5 — CID 22639490

IUPAC2-(tetrazol-1-yl)ethanamine
SMILESNCCn1cnnn1
InChIInChI=1S/C3H7N5/c4-1-2-8-3-5-6-7-8/h3H,1-2,4H2
InChIKeyZGHVPBISEIPFJS-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.37
Rot. Bonds2

About 2-(tetrazol-1-yl)ethanamine

2-(tetrazol-1-yl)ethanamine (PubChem CID 22639490) has the molecular formula C3H7N5 and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(tetrazol-1-yl)ethanamine
PubChem CID22639490
Molecular FormulaC3H7N5
Molecular Weight113.12 g/mol
Exact Mass113.07
IUPAC Name2-(tetrazol-1-yl)ethanamine
SMILESNCCn1cnnn1
InChIInChI=1S/C3H7N5/c4-1-2-8-3-5-6-7-8/h3H,1-2,4H2
InChIKeyZGHVPBISEIPFJS-UHFFFAOYSA-N
XLogP-1.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)ethanamine?
The IUPAC name of 2-(tetrazol-1-yl)ethanamine (CID 22639490) is 2-(tetrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(tetrazol-1-yl)ethanamine?
The canonical SMILES for 2-(tetrazol-1-yl)ethanamine is NCCn1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)ethanamine?
The InChIKey is ZGHVPBISEIPFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5/c4-1-2-8-3-5-6-7-8/h3H,1-2,4H2.
What are the key properties of 2-(tetrazol-1-yl)ethanamine?
2-(tetrazol-1-yl)ethanamine has a molecular weight of 113.12 g/mol, XLogP of -1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)ethanamine is sourced from PubChem (CID 22639490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).