2-(2H-tetrazol-5-yl)ethanamine

C3H7N5 — CID 14772412

IUPAC2-(2H-tetrazol-5-yl)ethanamine
SMILESNCCc1nn[nH]n1
InChIInChI=1S/C3H7N5/c4-2-1-3-5-7-8-6-3/h1-2,4H2,(H,5,6,7,8)
InChIKeyMZYXHLMULHPGKX-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.30
Rot. Bonds2

About 2-(2H-tetrazol-5-yl)ethanamine

2-(2H-tetrazol-5-yl)ethanamine (PubChem CID 14772412) has the molecular formula C3H7N5 and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)ethanamine
PubChem CID14772412
Molecular FormulaC3H7N5
Molecular Weight113.12 g/mol
Exact Mass113.07
IUPAC Name2-(2H-tetrazol-5-yl)ethanamine
SMILESNCCc1nn[nH]n1
InChIInChI=1S/C3H7N5/c4-2-1-3-5-7-8-6-3/h1-2,4H2,(H,5,6,7,8)
InChIKeyMZYXHLMULHPGKX-UHFFFAOYSA-N
XLogP-1.30
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)ethanamine?
The IUPAC name of 2-(2H-tetrazol-5-yl)ethanamine (CID 14772412) is 2-(2H-tetrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)ethanamine?
The canonical SMILES for 2-(2H-tetrazol-5-yl)ethanamine is NCCc1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)ethanamine?
The InChIKey is MZYXHLMULHPGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5/c4-2-1-3-5-7-8-6-3/h1-2,4H2,(H,5,6,7,8).
What are the key properties of 2-(2H-tetrazol-5-yl)ethanamine?
2-(2H-tetrazol-5-yl)ethanamine has a molecular weight of 113.12 g/mol, XLogP of -1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)ethanamine is sourced from PubChem (CID 14772412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).