2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol

C13H16N4O2 — CID 82980371

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol
SMILESCOc1cccc(CN2CCn3cnnc3C2)c1O
InChIInChI=1S/C13H16N4O2/c1-19-11-4-2-3-10(13(11)18)7-16-5-6-17-9-14-15-12(17)8-16/h2-4,9,18H,5-8H2,1H3
InChIKeyFRYPIVYPANRMOQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.01
Rot. Bonds3

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol (PubChem CID 82980371) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol
PubChem CID82980371
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol
SMILESCOc1cccc(CN2CCn3cnnc3C2)c1O
InChIInChI=1S/C13H16N4O2/c1-19-11-4-2-3-10(13(11)18)7-16-5-6-17-9-14-15-12(17)8-16/h2-4,9,18H,5-8H2,1H3
InChIKeyFRYPIVYPANRMOQ-UHFFFAOYSA-N
XLogP1.01
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53193668
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorobenzoic acid
CID 107119520
2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82962319
2,6-dimethoxy-4-(5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-ylmethyl)phenol
CID 26358589
[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine
CID 64574752
2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol
CID 79986823
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol
CID 82974216
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-one
CID 64577447
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol (CID 82980371) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol is COc1cccc(CN2CCn3cnnc3C2)c1O.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol?
The InChIKey is FRYPIVYPANRMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-11-4-2-3-10(13(11)18)7-16-5-6-17-9-14-15-12(17)8-16/h2-4,9,18H,5-8H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol has a molecular weight of 260.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol is sourced from PubChem (CID 82980371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).