8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C11H15ClN4O — CID 112602975

IUPAC8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nc(Cl)c2nnc(COC(C)C)n2c1C
InChIInChI=1S/C11H15ClN4O/c1-6(2)17-5-9-14-15-11-10(12)13-7(3)8(4)16(9)11/h6H,5H2,1-4H3
InChIKeyJHJMDFDRTPFCRH-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.32
Rot. Bonds3

About 8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 112602975) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID112602975
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nc(Cl)c2nnc(COC(C)C)n2c1C
InChIInChI=1S/C11H15ClN4O/c1-6(2)17-5-9-14-15-11-10(12)13-7(3)8(4)16(9)11/h6H,5H2,1-4H3
InChIKeyJHJMDFDRTPFCRH-UHFFFAOYSA-N
XLogP2.32
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol
CID 79200361
8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 102801877
8-chloro-3-(4-chloro-2,5-difluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 82771182
8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 107989241
8-chloro-3-(3-chloro-2-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 81264986
[4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol
CID 112605942
[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 112605944
3-bromo-1-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazole
CID 83895889
7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157019961
3-chloro-1,5,6-trimethylpyrazin-2-one
CID 146565343
2,3,5,8-tetramethylimidazo[1,2-a]pyrazine
CID 167181588
1-ethyl-2-methyl-5-(propan-2-yloxymethyl)imidazole
CID 117193131

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 112602975) is 8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nc(Cl)c2nnc(COC(C)C)n2c1C.
What is the InChIKey of 8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JHJMDFDRTPFCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-6(2)17-5-9-14-15-11-10(12)13-7(3)8(4)16(9)11/h6H,5H2,1-4H3.
What are the key properties of 8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 254.72 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5,6-dimethyl-3-(propan-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 112602975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).