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

C14H15FN4O2 — CID 53193547

IUPAC(3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCOc1ccc(C(=O)N2CCn3c(C)nnc3C2)cc1F
InChIInChI=1S/C14H15FN4O2/c1-9-16-17-13-8-18(5-6-19(9)13)14(20)10-3-4-12(21-2)11(15)7-10/h3-4,7H,5-6,8H2,1-2H3
InChIKeyLAURCGHUPWXMSX-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.39
Rot. Bonds2

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

(3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 53193547) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID53193547
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCOc1ccc(C(=O)N2CCn3c(C)nnc3C2)cc1F
InChIInChI=1S/C14H15FN4O2/c1-9-16-17-13-8-18(5-6-19(9)13)14(20)10-3-4-12(21-2)11(15)7-10/h3-4,7H,5-6,8H2,1-2H3
InChIKeyLAURCGHUPWXMSX-UHFFFAOYSA-N
XLogP1.39
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 53193547) is (3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is COc1ccc(C(=O)N2CCn3c(C)nnc3C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is LAURCGHUPWXMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-9-16-17-13-8-18(5-6-19(9)13)14(20)10-3-4-12(21-2)11(15)7-10/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 290.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 53193547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).