8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

C12H16ClN5 — CID 139294877

IUPAC8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CCN(c2nnc3c(Cl)nccn23)CC1C
InChIInChI=1S/C12H16ClN5/c1-8-3-5-17(7-9(8)2)12-16-15-11-10(13)14-4-6-18(11)12/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyXTNJYOMIDJMRBB-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.26
Rot. Bonds1

About 8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 139294877) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID139294877
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CCN(c2nnc3c(Cl)nccn23)CC1C
InChIInChI=1S/C12H16ClN5/c1-8-3-5-17(7-9(8)2)12-16-15-11-10(13)14-4-6-18(11)12/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyXTNJYOMIDJMRBB-UHFFFAOYSA-N
XLogP2.26
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 139294877) is 8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is CC1CCN(c2nnc3c(Cl)nccn23)CC1C.
What is the InChIKey of 8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XTNJYOMIDJMRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-8-3-5-17(7-9(8)2)12-16-15-11-10(13)14-4-6-18(11)12/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 265.75 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 139294877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).