7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine

C19H20N6O — CID 66636196

IUPAC7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCOc1cc2nc(CCc3nc(-c4ccccc4)cn3C)nn2c(C)n1
InChIInChI=1S/C19H20N6O/c1-13-20-19(26-3)11-18-22-16(23-25(13)18)9-10-17-21-15(12-24(17)2)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3
InChIKeyHMRBUSXFAXUHGE-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.63
Rot. Bonds5

About 7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine

7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 66636196) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID66636196
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCOc1cc2nc(CCc3nc(-c4ccccc4)cn3C)nn2c(C)n1
InChIInChI=1S/C19H20N6O/c1-13-20-19(26-3)11-18-22-16(23-25(13)18)9-10-17-21-15(12-24(17)2)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3
InChIKeyHMRBUSXFAXUHGE-UHFFFAOYSA-N
XLogP2.63
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 66636196) is 7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine is COc1cc2nc(CCc3nc(-c4ccccc4)cn3C)nn2c(C)n1.
What is the InChIKey of 7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is HMRBUSXFAXUHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-20-19(26-3)11-18-22-16(23-25(13)18)9-10-17-21-15(12-24(17)2)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 348.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 66636196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).