7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C13H23N5O — CID 64575451

IUPAC7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1nnc2n1CCN(CCCOC1CCNCC1)C2
InChIInChI=1S/C13H23N5O/c1(9-19-12-2-4-14-5-3-12)6-17-7-8-18-11-15-16-13(18)10-17/h11-12,14H,1-10H2
InChIKeyNTSGFGHMPFDABH-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.25
Rot. Bonds5

About 7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64575451) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64575451
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1nnc2n1CCN(CCCOC1CCNCC1)C2
InChIInChI=1S/C13H23N5O/c1(9-19-12-2-4-14-5-3-12)6-17-7-8-18-11-15-16-13(18)10-17/h11-12,14H,1-10H2
InChIKeyNTSGFGHMPFDABH-UHFFFAOYSA-N
XLogP0.25
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

2-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]morpholine
CID 66429636
4-[2-(5-Methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 55251330
4-[2-(4-Cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 55251426
4-[2-(4-Cyclopentyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 55251532
3-(Oxan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585364
3-(2-Ethoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62589944
3-(2-Propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62717028
4-[(4-Methyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 63875828
4-[2-(4-Methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63875829
4-[(4-Ethyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 63875830
4-[2-(4-Ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63875998
4-[(4-Propyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 63875999

Frequently Asked Questions

What is the IUPAC name of 7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64575451) is 7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1nnc2n1CCN(CCCOC1CCNCC1)C2.
What is the InChIKey of 7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NTSGFGHMPFDABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1(9-19-12-2-4-14-5-3-12)6-17-7-8-18-11-15-16-13(18)10-17/h11-12,14H,1-10H2.
What are the key properties of 7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 265.36 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-piperidin-4-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64575451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).