6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine

C16H20N6OS — CID 118743306

IUPAC6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
SMILESCOCC1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccsc1
InChIInChI=1S/C16H20N6OS/c1-20-7-13(5-17-20)16-15-9-21(6-12-3-4-24-11-12)14(10-23-2)8-22(15)19-18-16/h3-5,7,11,14H,6,8-10H2,1-2H3
InChIKeyAKDOJNVILVKQJA-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.77
Rot. Bonds5

About 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine

6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine (PubChem CID 118743306) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
PubChem CID118743306
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
SMILESCOCC1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccsc1
InChIInChI=1S/C16H20N6OS/c1-20-7-13(5-17-20)16-15-9-21(6-12-3-4-24-11-12)14(10-23-2)8-22(15)19-18-16/h3-5,7,11,14H,6,8-10H2,1-2H3
InChIKeyAKDOJNVILVKQJA-UHFFFAOYSA-N
XLogP1.77
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118739548
6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
CID 118743310
6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
CID 118744076
1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118746350
2-[4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 45241706
6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743305
6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743309
6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118744075
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 16677908
2-[4-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 45931241
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-[4-(3-thienyl)-1H-1,2,3-triazol-1-yl]piperidine
CID 28390856
2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 29023374

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The IUPAC name of 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine (CID 118743306) is 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The canonical SMILES for 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine is COCC1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccsc1.
What is the InChIKey of 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The InChIKey is AKDOJNVILVKQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-20-7-13(5-17-20)16-15-9-21(6-12-3-4-24-11-12)14(10-23-2)8-22(15)19-18-16/h3-5,7,11,14H,6,8-10H2,1-2H3.
What are the key properties of 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine has a molecular weight of 344.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine is sourced from PubChem (CID 118743306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).