3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C17H24N6O — CID 163351036

IUPAC3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1cnc(C)c(OC2CCN(Cc3nnc4n3CCC4)CC2)n1
InChIInChI=1S/C17H24N6O/c1-12-10-18-13(2)17(19-12)24-14-5-8-22(9-6-14)11-16-21-20-15-4-3-7-23(15)16/h10,14H,3-9,11H2,1-2H3
InChIKeyZJYZTLVMYGUOSX-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.67
Rot. Bonds4

About 3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 163351036) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID163351036
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1cnc(C)c(OC2CCN(Cc3nnc4n3CCC4)CC2)n1
InChIInChI=1S/C17H24N6O/c1-12-10-18-13(2)17(19-12)24-14-5-8-22(9-6-14)11-16-21-20-15-4-3-7-23(15)16/h10,14H,3-9,11H2,1-2H3
InChIKeyZJYZTLVMYGUOSX-UHFFFAOYSA-N
XLogP1.67
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 163351036) is 3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Cc1cnc(C)c(OC2CCN(Cc3nnc4n3CCC4)CC2)n1.
What is the InChIKey of 3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is ZJYZTLVMYGUOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-10-18-13(2)17(19-12)24-14-5-8-22(9-6-14)11-16-21-20-15-4-3-7-23(15)16/h10,14H,3-9,11H2,1-2H3.
What are the key properties of 3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 328.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 163351036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).