(1S)-1-(2H-tetrazol-5-yl)ethanamine

C3H7N5 — CID 11607905

IUPAC(1S)-1-(2H-tetrazol-5-yl)ethanamine
SMILESC[C@H](N)c1nn[nH]n1
InChIInChI=1S/C3H7N5/c1-2(4)3-5-7-8-6-3/h2H,4H2,1H3,(H,5,6,7,8)/t2-/m0/s1
InChIKeyNDMDHZMRQFSFOZ-REOHCLBHSA-N
MW113.12 g/mol
LogP-0.78
Rot. Bonds1

About (1S)-1-(2H-tetrazol-5-yl)ethanamine

(1S)-1-(2H-tetrazol-5-yl)ethanamine (PubChem CID 11607905) has the molecular formula C3H7N5 and a molecular weight of 113.12 g/mol. Its IUPAC name is (1S)-1-(2H-tetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2H-tetrazol-5-yl)ethanamine
PubChem CID11607905
Molecular FormulaC3H7N5
Molecular Weight113.12 g/mol
Exact Mass113.07
IUPAC Name(1S)-1-(2H-tetrazol-5-yl)ethanamine
SMILESC[C@H](N)c1nn[nH]n1
InChIInChI=1S/C3H7N5/c1-2(4)3-5-7-8-6-3/h2H,4H2,1H3,(H,5,6,7,8)/t2-/m0/s1
InChIKeyNDMDHZMRQFSFOZ-REOHCLBHSA-N
XLogP-0.78
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(2H-tetrazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2H-tetrazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(2H-tetrazol-5-yl)ethanamine (CID 11607905) is (1S)-1-(2H-tetrazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(2H-tetrazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(2H-tetrazol-5-yl)ethanamine is C[C@H](N)c1nn[nH]n1.
What is the InChIKey of (1S)-1-(2H-tetrazol-5-yl)ethanamine?
The InChIKey is NDMDHZMRQFSFOZ-REOHCLBHSA-N. The full InChI is InChI=1S/C3H7N5/c1-2(4)3-5-7-8-6-3/h2H,4H2,1H3,(H,5,6,7,8)/t2-/m0/s1.
What are the key properties of (1S)-1-(2H-tetrazol-5-yl)ethanamine?
(1S)-1-(2H-tetrazol-5-yl)ethanamine has a molecular weight of 113.12 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2H-tetrazol-5-yl)ethanamine is sourced from PubChem (CID 11607905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).