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

C13H17ClN6 — CID 80977508

IUPAC7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCc1nc(Cl)c(C)c(N2CCn3cnnc3C2)n1
InChIInChI=1S/C13H17ClN6/c1-3-4-10-16-12(14)9(2)13(17-10)19-5-6-20-8-15-18-11(20)7-19/h8H,3-7H2,1-2H3
InChIKeyOALXWLNAMFGPQI-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.00
Rot. Bonds3

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

7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 80977508) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID80977508
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCc1nc(Cl)c(C)c(N2CCn3cnnc3C2)n1
InChIInChI=1S/C13H17ClN6/c1-3-4-10-16-12(14)9(2)13(17-10)19-5-6-20-8-15-18-11(20)7-19/h8H,3-7H2,1-2H3
InChIKeyOALXWLNAMFGPQI-UHFFFAOYSA-N
XLogP2.00
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64575666
[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 81006440
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 80979070
1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80971021
4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1,3,5-triazin-2-amine
CID 80843798
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80985531
5-bromo-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpyrimidin-2-amine
CID 80843997
4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine
CID 64575281
2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634827
4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80972005
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80826867
4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine
CID 80978084

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 80977508) is 7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCCc1nc(Cl)c(C)c(N2CCn3cnnc3C2)n1.
What is the InChIKey of 7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is OALXWLNAMFGPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-3-4-10-16-12(14)9(2)13(17-10)19-5-6-20-8-15-18-11(20)7-19/h8H,3-7H2,1-2H3.
What are the key properties of 7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 292.77 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 80977508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).