3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C17H24N6O — CID 133470566

IUPAC3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC(C)Oc1nccnc1N1CCCC(c2nnc3n2CCC3)C1
InChIInChI=1S/C17H24N6O/c1-12(2)24-17-16(18-7-8-19-17)22-9-3-5-13(11-22)15-21-20-14-6-4-10-23(14)15/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyZJGDNUXABABCJL-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.19
Rot. Bonds4

About 3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 133470566) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID133470566
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC(C)Oc1nccnc1N1CCCC(c2nnc3n2CCC3)C1
InChIInChI=1S/C17H24N6O/c1-12(2)24-17-16(18-7-8-19-17)22-9-3-5-13(11-22)15-21-20-14-6-4-10-23(14)15/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyZJGDNUXABABCJL-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 133292022
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-6-methylquinazoline
CID 133292091
3-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 119033024
2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide
CID 75522922
3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133469598
3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 133290557
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
CID 133292066
5-[2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133320315
1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile
CID 133469208
9-propan-2-yl-3-(3-propan-2-yloxypyrazin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 133455125
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile
CID 133280853
3-(1-quinolin-4-ylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 75370498

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 133470566) is 3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is CC(C)Oc1nccnc1N1CCCC(c2nnc3n2CCC3)C1.
What is the InChIKey of 3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is ZJGDNUXABABCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(2)24-17-16(18-7-8-19-17)22-9-3-5-13(11-22)15-21-20-14-6-4-10-23(14)15/h7-8,12-13H,3-6,9-11H2,1-2H3.
What are the key properties of 3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 328.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 133470566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).