8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C18H21N5OS — CID 118169568

IUPAC8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)Oc1ccc(C2c3nnnn3CCN2Cc2cccs2)cc1
InChIInChI=1S/C18H21N5OS/c1-13(2)24-15-7-5-14(6-8-15)17-18-19-20-21-23(18)10-9-22(17)12-16-4-3-11-25-16/h3-8,11,13,17H,9-10,12H2,1-2H3
InChIKeyZKUDNJQBTYGPAP-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.13
Rot. Bonds5

About 8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169568) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169568
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)Oc1ccc(C2c3nnnn3CCN2Cc2cccs2)cc1
InChIInChI=1S/C18H21N5OS/c1-13(2)24-15-7-5-14(6-8-15)17-18-19-20-21-23(18)10-9-22(17)12-16-4-3-11-25-16/h3-8,11,13,17H,9-10,12H2,1-2H3
InChIKeyZKUDNJQBTYGPAP-UHFFFAOYSA-N
XLogP3.13
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-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

1-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-phenyl-piperazine
CID 649016
4-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-morpholine
CID 651994
1-Benzo[1,3]dioxol-5-ylmethyl-4-[(1-tert-butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazine
CID 3193631
1-(2-Methoxy-benzyl)-4-[3-methyl-1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 6603071
1-(2-Fluoro-phenyl)-4-[(4-methoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 649190
4-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-thiomorpholine
CID 651340
1-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-azepane
CID 3193608
7-(4-Methoxyphenyl)-5-(thiophen-2-yl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 4246804
7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169393
8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169401
7-[(2-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169410
8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169442

Frequently Asked Questions

What is the IUPAC name of 8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169568) is 8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CC(C)Oc1ccc(C2c3nnnn3CCN2Cc2cccs2)cc1.
What is the InChIKey of 8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is ZKUDNJQBTYGPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-13(2)24-15-7-5-14(6-8-15)17-18-19-20-21-23(18)10-9-22(17)12-16-4-3-11-25-16/h3-8,11,13,17H,9-10,12H2,1-2H3.
What are the key properties of 8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 355.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propan-2-yloxyphenyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).