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

C17H24N4O3 — CID 46966189

IUPAC[7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
SMILESCOc1cc(CN2CCn3c(CO)nnc3C2)ccc1OC(C)C
InChIInChI=1S/C17H24N4O3/c1-12(2)24-14-5-4-13(8-15(14)23-3)9-20-6-7-21-16(10-20)18-19-17(21)11-22/h4-5,8,12,22H,6-7,9-11H2,1-3H3
InChIKeyPUVABQIDVGWLLN-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.58
Rot. Bonds6

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

[7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol (PubChem CID 46966189) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol.

Molecular Properties

Compound Name[7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
PubChem CID46966189
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name[7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
SMILESCOc1cc(CN2CCn3c(CO)nnc3C2)ccc1OC(C)C
InChIInChI=1S/C17H24N4O3/c1-12(2)24-14-5-4-13(8-15(14)23-3)9-20-6-7-21-16(10-20)18-19-17(21)11-22/h4-5,8,12,22H,6-7,9-11H2,1-3H3
InChIKeyPUVABQIDVGWLLN-UHFFFAOYSA-N
XLogP1.58
TPSA72.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The IUPAC name of [7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol (CID 46966189) is [7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol.
What is the SMILES notation for [7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The canonical SMILES for [7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol is COc1cc(CN2CCn3c(CO)nnc3C2)ccc1OC(C)C.
What is the InChIKey of [7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The InChIKey is PUVABQIDVGWLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(2)24-14-5-4-13(8-15(14)23-3)9-20-6-7-21-16(10-20)18-19-17(21)11-22/h4-5,8,12,22H,6-7,9-11H2,1-3H3.
What are the key properties of [7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
[7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol has a molecular weight of 332.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol is sourced from PubChem (CID 46966189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).