(3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone

C18H15F2N5O2 — CID 97405121

IUPAC(3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCn2nnc(COc3ccccn3)c2C1
InChIInChI=1S/C18H15F2N5O2/c19-13-7-12(8-14(20)9-13)18(26)24-5-6-25-16(10-24)15(22-23-25)11-27-17-3-1-2-4-21-17/h1-4,7-9H,5-6,10-11H2
InChIKeyQRCSTQHSNRCNBI-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.19
Rot. Bonds4

About (3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone

(3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 97405121) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID97405121
Molecular FormulaC18H15F2N5O2
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name(3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCn2nnc(COc3ccccn3)c2C1
InChIInChI=1S/C18H15F2N5O2/c19-13-7-12(8-14(20)9-13)18(26)24-5-6-25-16(10-24)15(22-23-25)11-27-17-3-1-2-4-21-17/h1-4,7-9H,5-6,10-11H2
InChIKeyQRCSTQHSNRCNBI-UHFFFAOYSA-N
XLogP2.19
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-fluorocyclobutyl)-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 131685212
[(3R)-oxolan-3-yl]-[3-(pyridin-2-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 97405218
(3-fluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 72703213
[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-(2-fluorophenyl)methanone
CID 97413535
[3-(cyclopropylmethoxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone
CID 97381511
1,3-benzodioxol-5-yl-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155841564
(1-methylpyrrol-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 118745173
[4-(difluoromethylsulfanyl)phenyl]-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone
CID 122158531
[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-quinolin-8-ylmethanone;2,2,2-trifluoroacetic acid
CID 155838774
(3-fluoro-4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 118065760
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388
[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
CID 118065767

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone (CID 97405121) is (3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone is O=C(c1cc(F)cc(F)c1)N1CCn2nnc(COc3ccccn3)c2C1.
What is the InChIKey of (3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is QRCSTQHSNRCNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2/c19-13-7-12(8-14(20)9-13)18(26)24-5-6-25-16(10-24)15(22-23-25)11-27-17-3-1-2-4-21-17/h1-4,7-9H,5-6,10-11H2.
What are the key properties of (3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone?
(3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 371.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 97405121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).