3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine

C7H15N5O — CID 82228414

IUPAC3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine
SMILESCOCCn1nnnc1CCCN
InChIInChI=1S/C7H15N5O/c1-13-6-5-12-7(3-2-4-8)9-10-11-12/h2-6,8H2,1H3
InChIKeyQXRLGCGTEAADQP-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.79
Rot. Bonds6

About 3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine

3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine (PubChem CID 82228414) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine
PubChem CID82228414
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine
SMILESCOCCn1nnnc1CCCN
InChIInChI=1S/C7H15N5O/c1-13-6-5-12-7(3-2-4-8)9-10-11-12/h2-6,8H2,1H3
InChIKeyQXRLGCGTEAADQP-UHFFFAOYSA-N
XLogP-0.79
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine (CID 82228414) is 3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine is COCCn1nnnc1CCCN.
What is the InChIKey of 3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine?
The InChIKey is QXRLGCGTEAADQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-13-6-5-12-7(3-2-4-8)9-10-11-12/h2-6,8H2,1H3.
What are the key properties of 3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine?
3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine has a molecular weight of 185.23 g/mol, XLogP of -0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine is sourced from PubChem (CID 82228414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).