1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine

C4H11N5 — CID 118358336

IUPAC1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine
SMILESCNC(C)C1=NNNN1
InChIInChI=1S/C4H11N5/c1-3(5-2)4-6-8-9-7-4/h3,5,8-9H,1-2H3,(H,6,7)
InChIKeyPNQWMDWESQJPSP-UHFFFAOYSA-N
MW129.17 g/mol
LogP-1.48
Rot. Bonds2

About 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine

1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine (PubChem CID 118358336) has the molecular formula C4H11N5 and a molecular weight of 129.17 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine
PubChem CID118358336
Molecular FormulaC4H11N5
Molecular Weight129.17 g/mol
Exact Mass129.10
IUPAC Name1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine
SMILESCNC(C)C1=NNNN1
InChIInChI=1S/C4H11N5/c1-3(5-2)4-6-8-9-7-4/h3,5,8-9H,1-2H3,(H,6,7)
InChIKeyPNQWMDWESQJPSP-UHFFFAOYSA-N
XLogP-1.48
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.17
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine (CID 118358336) is 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine is CNC(C)C1=NNNN1.
What is the InChIKey of 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine?
The InChIKey is PNQWMDWESQJPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5/c1-3(5-2)4-6-8-9-7-4/h3,5,8-9H,1-2H3,(H,6,7).
What are the key properties of 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine?
1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine has a molecular weight of 129.17 g/mol, XLogP of -1.48, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 118358336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).