5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine

C19H15N7 — CID 118525774

IUPAC5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(-c3ccc4nc(-c5cccnc5)[nH]c4c3)nc12
InChIInChI=1S/C19H15N7/c1-11-9-21-12(2)19-24-18(25-26(11)19)13-5-6-15-16(8-13)23-17(22-15)14-4-3-7-20-10-14/h3-10H,1-2H3,(H,22,23)
InChIKeyYCHCKKIRFVDACM-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.35
Rot. Bonds2

About 5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 118525774) has the molecular formula C19H15N7 and a molecular weight of 341.38 g/mol. Its IUPAC name is 5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID118525774
Molecular FormulaC19H15N7
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(-c3ccc4nc(-c5cccnc5)[nH]c4c3)nc12
InChIInChI=1S/C19H15N7/c1-11-9-21-12(2)19-24-18(25-26(11)19)13-5-6-15-16(8-13)23-17(22-15)14-4-3-7-20-10-14/h3-10H,1-2H3,(H,22,23)
InChIKeyYCHCKKIRFVDACM-UHFFFAOYSA-N
XLogP3.35
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine (CID 118525774) is 5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(-c3ccc4nc(-c5cccnc5)[nH]c4c3)nc12.
What is the InChIKey of 5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is YCHCKKIRFVDACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7/c1-11-9-21-12(2)19-24-18(25-26(11)19)13-5-6-15-16(8-13)23-17(22-15)14-4-3-7-20-10-14/h3-10H,1-2H3,(H,22,23).
What are the key properties of 5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 341.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 118525774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).