8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C15H18N4O — CID 102791984

IUPAC8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccccc1-c1nnc2n1CCNC2C1CC1
InChIInChI=1S/C15H18N4O/c1-20-12-5-3-2-4-11(12)14-17-18-15-13(10-6-7-10)16-8-9-19(14)15/h2-5,10,13,16H,6-9H2,1H3
InChIKeyKNOIZRVSGRPISR-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.01
Rot. Bonds3

About 8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791984) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791984
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccccc1-c1nnc2n1CCNC2C1CC1
InChIInChI=1S/C15H18N4O/c1-20-12-5-3-2-4-11(12)14-17-18-15-13(10-6-7-10)16-8-9-19(14)15/h2-5,10,13,16H,6-9H2,1H3
InChIKeyKNOIZRVSGRPISR-UHFFFAOYSA-N
XLogP2.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791911
3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791896
8-ethyl-3-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791577
3-(2-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2747821
8-cyclopropyl-3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 106831432
8-cyclopropyl-3-(5-methyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791899
3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150494
10-methoxy-3-piperidin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzothiazepine
CID 139725050
5-chloro-2-(2-methoxyphenyl)-1-methylimidazole
CID 117259261
3-(2-methoxyphenyl)-5a,6,7,8,9,9a-hexahydro-5H-[1,2,4]triazolo[4,3-b][4,1,2]benzothiadiazine
CID 82048007
12-(2-methoxyphenyl)-8-thia-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene
CID 82047977
3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid
CID 94771493

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791984) is 8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is COc1ccccc1-c1nnc2n1CCNC2C1CC1.
What is the InChIKey of 8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KNOIZRVSGRPISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-12-5-3-2-4-11(12)14-17-18-15-13(10-6-7-10)16-8-9-19(14)15/h2-5,10,13,16H,6-9H2,1H3.
What are the key properties of 8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 270.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).