3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole

C14H18N8OS — CID 171323723

IUPAC3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCCN(c3nccn4cnnc34)CC2)n1
InChIInChI=1S/C14H18N8OS/c1-23-9-11-17-14(24-19-11)21-5-2-4-20(7-8-21)12-13-18-16-10-22(13)6-3-15-12/h3,6,10H,2,4-5,7-9H2,1H3
InChIKeyFLAGIDCBFWVWRF-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.84
Rot. Bonds4

About 3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole

3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole (PubChem CID 171323723) has the molecular formula C14H18N8OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
PubChem CID171323723
Molecular FormulaC14H18N8OS
Molecular Weight346.42 g/mol
Exact Mass346.13
IUPAC Name3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCCN(c3nccn4cnnc34)CC2)n1
InChIInChI=1S/C14H18N8OS/c1-23-9-11-17-14(24-19-11)21-5-2-4-20(7-8-21)12-13-18-16-10-22(13)6-3-15-12/h3,6,10H,2,4-5,7-9H2,1H3
InChIKeyFLAGIDCBFWVWRF-UHFFFAOYSA-N
XLogP0.84
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole 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 3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole (CID 171323723) is 3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole is COCc1nsc(N2CCCN(c3nccn4cnnc34)CC2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole?
The InChIKey is FLAGIDCBFWVWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8OS/c1-23-9-11-17-14(24-19-11)21-5-2-4-20(7-8-21)12-13-18-16-10-22(13)6-3-15-12/h3,6,10H,2,4-5,7-9H2,1H3.
What are the key properties of 3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole?
3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole has a molecular weight of 346.42 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 171323723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).