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

C15H27N5 — CID 134792876

IUPAC7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)CCN1CCn2c(nnc2C2CCCNC2)C1
InChIInChI=1S/C15H27N5/c1-12(2)5-7-19-8-9-20-14(11-19)17-18-15(20)13-4-3-6-16-10-13/h12-13,16H,3-11H2,1-2H3
InChIKeyFXHJGRMASIJYMW-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.61
Rot. Bonds4

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

7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134792876) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134792876
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)CCN1CCn2c(nnc2C2CCCNC2)C1
InChIInChI=1S/C15H27N5/c1-12(2)5-7-19-8-9-20-14(11-19)17-18-15(20)13-4-3-6-16-10-13/h12-13,16H,3-11H2,1-2H3
InChIKeyFXHJGRMASIJYMW-UHFFFAOYSA-N
XLogP1.61
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 52911275
3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987769
3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987852
3-((dimethyl-1H-1,2,4-triazol-1-yl)methyl)piperidine
CID 54592625
3-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585362
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
1-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine
CID 71695363
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 71755432
1-cyclopentyl-N-[(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]methanamine
CID 53613793
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721637

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134792876) is 7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)CCN1CCn2c(nnc2C2CCCNC2)C1.
What is the InChIKey of 7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FXHJGRMASIJYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12(2)5-7-19-8-9-20-14(11-19)17-18-15(20)13-4-3-6-16-10-13/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 277.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134792876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).