[7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol

C16H22N4O3 — CID 16673466

IUPAC[7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
SMILESCOc1cc(C)c(CN2CCn3c(CO)nnc3C2)cc1OC
InChIInChI=1S/C16H22N4O3/c1-11-6-13(22-2)14(23-3)7-12(11)8-19-4-5-20-15(9-19)17-18-16(20)10-21/h6-7,21H,4-5,8-10H2,1-3H3
InChIKeyMUBHQFVCSBXOMM-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.11
Rot. Bonds5

About [7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol

[7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol (PubChem CID 16673466) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is [7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol.

Molecular Properties

Compound Name[7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
PubChem CID16673466
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name[7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
SMILESCOc1cc(C)c(CN2CCn3c(CO)nnc3C2)cc1OC
InChIInChI=1S/C16H22N4O3/c1-11-6-13(22-2)14(23-3)7-12(11)8-19-4-5-20-15(9-19)17-18-16(20)10-21/h6-7,21H,4-5,8-10H2,1-3H3
InChIKeyMUBHQFVCSBXOMM-UHFFFAOYSA-N
XLogP1.11
TPSA72.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The IUPAC name of [7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol (CID 16673466) is [7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol.
What is the SMILES notation for [7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The canonical SMILES for [7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol is COc1cc(C)c(CN2CCn3c(CO)nnc3C2)cc1OC.
What is the InChIKey of [7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The InChIKey is MUBHQFVCSBXOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-6-13(22-2)14(23-3)7-12(11)8-19-4-5-20-15(9-19)17-18-16(20)10-21/h6-7,21H,4-5,8-10H2,1-3H3.
What are the key properties of [7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
[7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol has a molecular weight of 318.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(4,5-dimethoxy-2-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol is sourced from PubChem (CID 16673466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).