2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine

C8H15N5O — CID 107049451

IUPAC2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine
SMILESCn1nnc(CC(N)C2CCOC2)n1
InChIInChI=1S/C8H15N5O/c1-13-11-8(10-12-13)4-7(9)6-2-3-14-5-6/h6-7H,2-5,9H2,1H3
InChIKeyDZFWHDARVZQHBZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.88
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine

2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine (PubChem CID 107049451) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine
PubChem CID107049451
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine
SMILESCn1nnc(CC(N)C2CCOC2)n1
InChIInChI=1S/C8H15N5O/c1-13-11-8(10-12-13)4-7(9)6-2-3-14-5-6/h6-7H,2-5,9H2,1H3
InChIKeyDZFWHDARVZQHBZ-UHFFFAOYSA-N
XLogP-0.88
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine (CID 107049451) is 2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine is Cn1nnc(CC(N)C2CCOC2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is DZFWHDARVZQHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-13-11-8(10-12-13)4-7(9)6-2-3-14-5-6/h6-7H,2-5,9H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine?
2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 197.24 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 107049451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).