3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C14H18N6 — CID 133292022

IUPAC3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1cnc(N2CCCC(c3nnc4n3CCC4)C2)cn1
InChIInChI=1S/C14H18N6/c1-3-11(14-18-17-12-4-2-8-20(12)14)10-19(7-1)13-9-15-5-6-16-13/h5-6,9,11H,1-4,7-8,10H2
InChIKeyZQIIVSIBUZWJDW-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.40
Rot. Bonds2

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

3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 133292022) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID133292022
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1cnc(N2CCCC(c3nnc4n3CCC4)C2)cn1
InChIInChI=1S/C14H18N6/c1-3-11(14-18-17-12-4-2-8-20(12)14)10-19(7-1)13-9-15-5-6-16-13/h5-6,9,11H,1-4,7-8,10H2
InChIKeyZQIIVSIBUZWJDW-UHFFFAOYSA-N
XLogP1.40
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole with MolForge

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Related Compounds

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
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
3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 133292080
2-[(3S)-3-pyridin-2-ylpiperidin-1-yl]pyrazine
CID 95817344
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
5-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-oxazole
CID 125011496
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
(3S)-1-pyrazin-2-ylpiperidin-3-amine
CID 86277059
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile
CID 133280853
2-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
CID 97154316
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
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

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 133292022) is 3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is c1cnc(N2CCCC(c3nnc4n3CCC4)C2)cn1.
What is the InChIKey of 3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is ZQIIVSIBUZWJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-3-11(14-18-17-12-4-2-8-20(12)14)10-19(7-1)13-9-15-5-6-16-13/h5-6,9,11H,1-4,7-8,10H2.
What are the key properties of 3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 270.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 133292022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).