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

C12H11ClN6 — CID 139295865

IUPAC8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(C3CCc4[nH]ncc4C3)nnc12
InChIInChI=1S/C12H11ClN6/c13-10-12-18-17-11(19(12)4-3-14-10)7-1-2-9-8(5-7)6-15-16-9/h3-4,6-7H,1-2,5H2,(H,15,16)
InChIKeyXBWICLJEXNTIOB-UHFFFAOYSA-N
MW274.71 g/mol
LogP1.77
Rot. Bonds1

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

8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 139295865) has the molecular formula C12H11ClN6 and a molecular weight of 274.71 g/mol. Its IUPAC name is 8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID139295865
Molecular FormulaC12H11ClN6
Molecular Weight274.71 g/mol
Exact Mass274.07
IUPAC Name8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(C3CCc4[nH]ncc4C3)nnc12
InChIInChI=1S/C12H11ClN6/c13-10-12-18-17-11(19(12)4-3-14-10)7-1-2-9-8(5-7)6-15-16-9/h3-4,6-7H,1-2,5H2,(H,15,16)
InChIKeyXBWICLJEXNTIOB-UHFFFAOYSA-N
XLogP1.77
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 139295865) is 8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine is Clc1nccn2c(C3CCc4[nH]ncc4C3)nnc12.
What is the InChIKey of 8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XBWICLJEXNTIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6/c13-10-12-18-17-11(19(12)4-3-14-10)7-1-2-9-8(5-7)6-15-16-9/h3-4,6-7H,1-2,5H2,(H,15,16).
What are the key properties of 8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 274.71 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 139295865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).