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

C9H11ClN4O — CID 107939390

IUPAC8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCOCc1nnc2c(Cl)nccn12
InChIInChI=1S/C9H11ClN4O/c1-2-5-15-6-7-12-13-9-8(10)11-3-4-14(7)9/h3-4H,2,5-6H2,1H3
InChIKeyCMRAECFJPWSZGD-UHFFFAOYSA-N
MW226.67 g/mol
LogP1.70
Rot. Bonds4

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

8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 107939390) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID107939390
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCOCc1nnc2c(Cl)nccn12
InChIInChI=1S/C9H11ClN4O/c1-2-5-15-6-7-12-13-9-8(10)11-3-4-14(7)9/h3-4H,2,5-6H2,1H3
InChIKeyCMRAECFJPWSZGD-UHFFFAOYSA-N
XLogP1.70
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane
CID 58388823
3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 133054598
8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 53485966
1-ethenyl-2-(propoxymethyl)imidazole
CID 102357846
8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione
CID 130520880
8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 66128415
N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine
CID 106937929
8-chloro-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295709
8-chloro-3-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139294883
8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 79659917
3-(chloromethyl)-4-(2-methylpropyl)-5-(propoxymethyl)-1,2,4-triazole
CID 107944088
[5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 107944033

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 107939390) is 8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine is CCCOCc1nnc2c(Cl)nccn12.
What is the InChIKey of 8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CMRAECFJPWSZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-2-5-15-6-7-12-13-9-8(10)11-3-4-14(7)9/h3-4H,2,5-6H2,1H3.
What are the key properties of 8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 226.67 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 107939390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).