6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine

C17H22N6OS — CID 118744076

IUPAC6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
SMILESCOCC1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccc(C)s1
InChIInChI=1S/C17H22N6OS/c1-12-4-5-15(25-12)9-22-10-16-17(13-6-18-21(2)7-13)19-20-23(16)8-14(22)11-24-3/h4-7,14H,8-11H2,1-3H3
InChIKeyPVDWJSPXAGSCQK-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.08
Rot. Bonds5

About 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine

6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine (PubChem CID 118744076) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
PubChem CID118744076
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
SMILESCOCC1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccc(C)s1
InChIInChI=1S/C17H22N6OS/c1-12-4-5-15(25-12)9-22-10-16-17(13-6-18-21(2)7-13)19-20-23(16)8-14(22)11-24-3/h4-7,14H,8-11H2,1-3H3
InChIKeyPVDWJSPXAGSCQK-UHFFFAOYSA-N
XLogP2.08
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The IUPAC name of 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine (CID 118744076) is 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The canonical SMILES for 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine is COCC1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccc(C)s1.
What is the InChIKey of 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The InChIKey is PVDWJSPXAGSCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-12-4-5-15(25-12)9-22-10-16-17(13-6-18-21(2)7-13)19-20-23(16)8-14(22)11-24-3/h4-7,14H,8-11H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
6-(methoxymethyl)-3-(1-methylpyrazol-4-yl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine has a molecular weight of 358.47 g/mol, XLogP of 2.08, 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-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine is sourced from PubChem (CID 118744076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).