5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C19H15N7 — CID 118525786

IUPAC5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccc4nc(-c5ccncc5)[nH]c4c3)nc2n1
InChIInChI=1S/C19H15N7/c1-11-9-12(2)26-19(21-11)24-18(25-26)14-3-4-15-16(10-14)23-17(22-15)13-5-7-20-8-6-13/h3-10H,1-2H3,(H,22,23)
InChIKeyMQOWBTLQOGRBSK-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.35
Rot. Bonds2

About 5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 118525786) has the molecular formula C19H15N7 and a molecular weight of 341.38 g/mol. Its IUPAC name is 5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID118525786
Molecular FormulaC19H15N7
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccc4nc(-c5ccncc5)[nH]c4c3)nc2n1
InChIInChI=1S/C19H15N7/c1-11-9-12(2)26-19(21-11)24-18(25-26)14-3-4-15-16(10-14)23-17(22-15)13-5-7-20-8-6-13/h3-10H,1-2H3,(H,22,23)
InChIKeyMQOWBTLQOGRBSK-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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 118525786) is 5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(-c3ccc4nc(-c5ccncc5)[nH]c4c3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MQOWBTLQOGRBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7/c1-11-9-12(2)26-19(21-11)24-18(25-26)14-3-4-15-16(10-14)23-17(22-15)13-5-7-20-8-6-13/h3-10H,1-2H3,(H,22,23).
What are the key properties of 5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine 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 5,7-dimethyl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118525786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).