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

C18H24N4O2 — CID 16673544

IUPAC[7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
SMILESOCc1nnc2n1CCN(Cc1cccc(OC3CCCC3)c1)C2
InChIInChI=1S/C18H24N4O2/c23-13-18-20-19-17-12-21(8-9-22(17)18)11-14-4-3-7-16(10-14)24-15-5-1-2-6-15/h3-4,7,10,15,23H,1-2,5-6,8-9,11-13H2
InChIKeyDUTCXNQNZLVANB-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.11
Rot. Bonds5

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

[7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol (PubChem CID 16673544) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol.

Molecular Properties

Compound Name[7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
PubChem CID16673544
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
SMILESOCc1nnc2n1CCN(Cc1cccc(OC3CCCC3)c1)C2
InChIInChI=1S/C18H24N4O2/c23-13-18-20-19-17-12-21(8-9-22(17)18)11-14-4-3-7-16(10-14)24-15-5-1-2-6-15/h3-4,7,10,15,23H,1-2,5-6,8-9,11-13H2
InChIKeyDUTCXNQNZLVANB-UHFFFAOYSA-N
XLogP2.11
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The IUPAC name of [7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol (CID 16673544) is [7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol.
What is the SMILES notation for [7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The canonical SMILES for [7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol is OCc1nnc2n1CCN(Cc1cccc(OC3CCCC3)c1)C2.
What is the InChIKey of [7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The InChIKey is DUTCXNQNZLVANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-13-18-20-19-17-12-21(8-9-22(17)18)11-14-4-3-7-16(10-14)24-15-5-1-2-6-15/h3-4,7,10,15,23H,1-2,5-6,8-9,11-13H2.
What are the key properties of [7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
[7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol has a molecular weight of 328.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(3-cyclopentyloxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol is sourced from PubChem (CID 16673544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).