1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C18H22N6O — CID 155962208

IUPAC1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1c2cccn2CCN1CCCOc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C18H22N6O/c1-14-17-4-2-9-24(17)12-11-23(14)10-3-13-25-16-7-5-15(6-8-16)18-19-21-22-20-18/h2,4-9,14H,3,10-13H2,1H3,(H,19,20,21,22)
InChIKeyYKQKKOQWZJMYCX-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.51
Rot. Bonds6

About 1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 155962208) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID155962208
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1c2cccn2CCN1CCCOc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C18H22N6O/c1-14-17-4-2-9-24(17)12-11-23(14)10-3-13-25-16-7-5-15(6-8-16)18-19-21-22-20-18/h2,4-9,14H,3,10-13H2,1H3,(H,19,20,21,22)
InChIKeyYKQKKOQWZJMYCX-UHFFFAOYSA-N
XLogP2.51
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[4-(2H-tetrazol-5-yl)phenoxy]butyl]-1,2,4-triazine-3,5-dione
CID 162657899
1-(3-methylbutyl)-3-[1-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]indole
CID 23444861
2-(4-hexoxyphenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazole
CID 50936800
1-(2,2-dimethylpropyl)-5-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]indole
CID 11950746
1-[3-(4-ethylphenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 95996756
1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 82365300
methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
CID 59205718
7-methyl-1-[3-(4-methylphenoxy)propyl]-1,4-diazepane
CID 82246475
3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
CID 143841531
4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
CID 3244608
7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 70985298
N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 11372797

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 155962208) is 1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CC1c2cccn2CCN1CCCOc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is YKQKKOQWZJMYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-14-17-4-2-9-24(17)12-11-23(14)10-3-13-25-16-7-5-15(6-8-16)18-19-21-22-20-18/h2,4-9,14H,3,10-13H2,1H3,(H,19,20,21,22).
What are the key properties of 1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 338.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 155962208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).