5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine

C9H7ClN6 — CID 107972903

IUPAC5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cnc(-c2nnc3cncc(Cl)n23)c1
InChIInChI=1S/C9H7ClN6/c1-15-4-6(12-5-15)9-14-13-8-3-11-2-7(10)16(8)9/h2-5H,1H3
InChIKeyBAUWUNVVIMEFMD-UHFFFAOYSA-N
MW234.65 g/mol
LogP1.18
Rot. Bonds1

About 5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine

5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 107972903) has the molecular formula C9H7ClN6 and a molecular weight of 234.65 g/mol. Its IUPAC name is 5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID107972903
Molecular FormulaC9H7ClN6
Molecular Weight234.65 g/mol
Exact Mass234.04
IUPAC Name5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cnc(-c2nnc3cncc(Cl)n23)c1
InChIInChI=1S/C9H7ClN6/c1-15-4-6(12-5-15)9-14-13-8-3-11-2-7(10)16(8)9/h2-5H,1H3
InChIKeyBAUWUNVVIMEFMD-UHFFFAOYSA-N
XLogP1.18
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 107972903) is 5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine is Cn1cnc(-c2nnc3cncc(Cl)n23)c1.
What is the InChIKey of 5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BAUWUNVVIMEFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN6/c1-15-4-6(12-5-15)9-14-13-8-3-11-2-7(10)16(8)9/h2-5H,1H3.
What are the key properties of 5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 234.65 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 107972903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).