N-methyl-1-(2H-tetrazol-5-yl)ethanamine

C4H9N5 — CID 50988513

IUPACN-methyl-1-(2H-tetrazol-5-yl)ethanamine
SMILESCNC(C)c1nn[nH]n1
InChIInChI=1S/C4H9N5/c1-3(5-2)4-6-8-9-7-4/h3,5H,1-2H3,(H,6,7,8,9)
InChIKeyJKGYVGXVRUYART-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.52
Rot. Bonds2

About N-methyl-1-(2H-tetrazol-5-yl)ethanamine

N-methyl-1-(2H-tetrazol-5-yl)ethanamine (PubChem CID 50988513) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is N-methyl-1-(2H-tetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2H-tetrazol-5-yl)ethanamine
PubChem CID50988513
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC NameN-methyl-1-(2H-tetrazol-5-yl)ethanamine
SMILESCNC(C)c1nn[nH]n1
InChIInChI=1S/C4H9N5/c1-3(5-2)4-6-8-9-7-4/h3,5H,1-2H3,(H,6,7,8,9)
InChIKeyJKGYVGXVRUYART-UHFFFAOYSA-N
XLogP-0.52
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2H-tetrazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-(2H-tetrazol-5-yl)ethanamine (CID 50988513) is N-methyl-1-(2H-tetrazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2H-tetrazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2H-tetrazol-5-yl)ethanamine is CNC(C)c1nn[nH]n1.
What is the InChIKey of N-methyl-1-(2H-tetrazol-5-yl)ethanamine?
The InChIKey is JKGYVGXVRUYART-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-3(5-2)4-6-8-9-7-4/h3,5H,1-2H3,(H,6,7,8,9).
What are the key properties of N-methyl-1-(2H-tetrazol-5-yl)ethanamine?
N-methyl-1-(2H-tetrazol-5-yl)ethanamine has a molecular weight of 127.15 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2H-tetrazol-5-yl)ethanamine is sourced from PubChem (CID 50988513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).