1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone

C18H20N6O2 — CID 70718286

IUPAC1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone
SMILESCCC1c2cccn2CCN1C(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H20N6O2/c1-2-16-17-4-3-9-22(17)10-11-23(16)18(25)12-26-15-7-5-14(6-8-15)24-13-19-20-21-24/h3-9,13,16H,2,10-12H2,1H3
InChIKeyCSNNFEXCFZFHQS-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.84
Rot. Bonds5

About 1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone

1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone (PubChem CID 70718286) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone
PubChem CID70718286
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone
SMILESCCC1c2cccn2CCN1C(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H20N6O2/c1-2-16-17-4-3-9-22(17)10-11-23(16)18(25)12-26-15-7-5-14(6-8-15)24-13-19-20-21-24/h3-9,13,16H,2,10-12H2,1H3
InChIKeyCSNNFEXCFZFHQS-UHFFFAOYSA-N
XLogP1.84
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone?
The IUPAC name of 1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone (CID 70718286) is 1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone?
The canonical SMILES for 1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone is CCC1c2cccn2CCN1C(=O)COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone?
The InChIKey is CSNNFEXCFZFHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-2-16-17-4-3-9-22(17)10-11-23(16)18(25)12-26-15-7-5-14(6-8-15)24-13-19-20-21-24/h3-9,13,16H,2,10-12H2,1H3.
What are the key properties of 1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone?
1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone has a molecular weight of 352.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone is sourced from PubChem (CID 70718286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).