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

C16H18N4O2 — CID 134794003

IUPACcyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)C2CC2)C3)cc1
InChIInChI=1S/C16H18N4O2/c1-22-13-6-4-11(5-7-13)15-18-17-14-10-19(8-9-20(14)15)16(21)12-2-3-12/h4-7,12H,2-3,8-10H2,1H3
InChIKeyMQMJJMWADFTJJR-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.71
Rot. Bonds3

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

cyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 134794003) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is cyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID134794003
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Namecyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)C2CC2)C3)cc1
InChIInChI=1S/C16H18N4O2/c1-22-13-6-4-11(5-7-13)15-18-17-14-10-19(8-9-20(14)15)16(21)12-2-3-12/h4-7,12H,2-3,8-10H2,1H3
InChIKeyMQMJJMWADFTJJR-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of cyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 134794003) is cyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COc1ccc(-c2nnc3n2CCN(C(=O)C2CC2)C3)cc1.
What is the InChIKey of cyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is MQMJJMWADFTJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-13-6-4-11(5-7-13)15-18-17-14-10-19(8-9-20(14)15)16(21)12-2-3-12/h4-7,12H,2-3,8-10H2,1H3.
What are the key properties of cyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
cyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 134794003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).