1-(2-methyltetrazol-5-yl)ethanamine

C4H9N5 — CID 84647949

IUPAC1-(2-methyltetrazol-5-yl)ethanamine
SMILESCC(N)c1nnn(C)n1
InChIInChI=1S/C4H9N5/c1-3(5)4-6-8-9(2)7-4/h3H,5H2,1-2H3
InChIKeyPJBMSGZXZAYLMO-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.77
Rot. Bonds1

About 1-(2-methyltetrazol-5-yl)ethanamine

1-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 84647949) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)ethanamine
PubChem CID84647949
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name1-(2-methyltetrazol-5-yl)ethanamine
SMILESCC(N)c1nnn(C)n1
InChIInChI=1S/C4H9N5/c1-3(5)4-6-8-9(2)7-4/h3H,5H2,1-2H3
InChIKeyPJBMSGZXZAYLMO-UHFFFAOYSA-N
XLogP-0.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(2-methyltetrazol-5-yl)ethanamine (CID 84647949) is 1-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)ethanamine is CC(N)c1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is PJBMSGZXZAYLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-3(5)4-6-8-9(2)7-4/h3H,5H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)ethanamine?
1-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 127.15 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 84647949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).