2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C14H19ClN6 — CID 102918993

IUPAC2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1c1cc(Cl)nc2ncnn12
InChIInChI=1S/C14H19ClN6/c1-10-7-19-5-3-2-4-11(19)8-20(10)13-6-12(15)18-14-16-9-17-21(13)14/h6,9-11H,2-5,7-8H2,1H3
InChIKeyXTEJSMYLZBCLOV-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.84
Rot. Bonds1

About 2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 102918993) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID102918993
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1c1cc(Cl)nc2ncnn12
InChIInChI=1S/C14H19ClN6/c1-10-7-19-5-3-2-4-11(19)8-20(10)13-6-12(15)18-14-16-9-17-21(13)14/h6,9-11H,2-5,7-8H2,1H3
InChIKeyXTEJSMYLZBCLOV-UHFFFAOYSA-N
XLogP1.84
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

5-chloro-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918816
5-chloro-7-(2,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919199
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
5-chloro-7-(4-methylazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918844
4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 102918670
2-(3-chloropyrazin-2-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925406
5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5302733
7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919125
4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole
CID 83156244
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 102918257
2-(6-fluoropyrimidin-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115417184

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 102918993) is 2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC1CN2CCCCC2CN1c1cc(Cl)nc2ncnn12.
What is the InChIKey of 2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is XTEJSMYLZBCLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-10-7-19-5-3-2-4-11(19)8-20(10)13-6-12(15)18-14-16-9-17-21(13)14/h6,9-11H,2-5,7-8H2,1H3.
What are the key properties of 2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 306.80 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 102918993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).