3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C18H20N4O2 — CID 53193651

IUPAC3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(-c2nnc3n2CCN(Cc2ccc(C)o2)C3)cc1
InChIInChI=1S/C18H20N4O2/c1-13-3-6-16(24-13)11-21-9-10-22-17(12-21)19-20-18(22)14-4-7-15(23-2)8-5-14/h3-8H,9-12H2,1-2H3
InChIKeyGIVRQVICSFICHO-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.87
Rot. Bonds4

About 3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 53193651) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID53193651
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(-c2nnc3n2CCN(Cc2ccc(C)o2)C3)cc1
InChIInChI=1S/C18H20N4O2/c1-13-3-6-16(24-13)11-21-9-10-22-17(12-21)19-20-18(22)14-4-7-15(23-2)8-5-14/h3-8H,9-12H2,1-2H3
InChIKeyGIVRQVICSFICHO-UHFFFAOYSA-N
XLogP2.87
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 3717638
2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 134792511
7-[(5-methylfuran-2-yl)methyl]-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 25295315
7-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 163356134
7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 168958103
CID 134794640
CID 134794640
7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53186213
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151802
[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-morpholin-4-ylmethanone
CID 97468792
N-cyclopentyl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134792457
4-methoxy-2-[(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methyl]phenol
CID 126463339
N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134795446

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 53193651) is 3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is COc1ccc(-c2nnc3n2CCN(Cc2ccc(C)o2)C3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GIVRQVICSFICHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-3-6-16(24-13)11-21-9-10-22-17(12-21)19-20-18(22)14-4-7-15(23-2)8-5-14/h3-8H,9-12H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 324.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 53193651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).