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

C16H18N4O2 — CID 134793447

IUPAC(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCn3c(nnc3C3CC3)C2)c1
InChIInChI=1S/C16H18N4O2/c1-22-13-4-2-3-12(9-13)16(21)19-7-8-20-14(10-19)17-18-15(20)11-5-6-11/h2-4,9,11H,5-8,10H2,1H3
InChIKeyYGYNQKFICRZPIM-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.82
Rot. Bonds3

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

(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone (PubChem CID 134793447) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone
PubChem CID134793447
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCn3c(nnc3C3CC3)C2)c1
InChIInChI=1S/C16H18N4O2/c1-22-13-4-2-3-12(9-13)16(21)19-7-8-20-14(10-19)17-18-15(20)11-5-6-11/h2-4,9,11H,5-8,10H2,1H3
InChIKeyYGYNQKFICRZPIM-UHFFFAOYSA-N
XLogP1.82
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone (CID 134793447) is (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCn3c(nnc3C3CC3)C2)c1.
What is the InChIKey of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone?
The InChIKey is YGYNQKFICRZPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-13-4-2-3-12(9-13)16(21)19-7-8-20-14(10-19)17-18-15(20)11-5-6-11/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone?
(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone has a molecular weight of 298.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 134793447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).