[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol

C19H20N6O — CID 66636097

IUPAC[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol
SMILESCc1cc(CO)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2n1
InChIInChI=1S/C19H20N6O/c1-13-10-15(12-26)25-19(20-13)22-17(23-25)8-9-18-21-16(11-24(18)2)14-6-4-3-5-7-14/h3-7,10-11,26H,8-9,12H2,1-2H3
InChIKeyARNADARLCXYKLA-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.11
Rot. Bonds5

About [5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol

[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol (PubChem CID 66636097) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is [5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol.

Molecular Properties

Compound Name[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol
PubChem CID66636097
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol
SMILESCc1cc(CO)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2n1
InChIInChI=1S/C19H20N6O/c1-13-10-15(12-26)25-19(20-13)22-17(23-25)8-9-18-21-16(11-24(18)2)14-6-4-3-5-7-14/h3-7,10-11,26H,8-9,12H2,1-2H3
InChIKeyARNADARLCXYKLA-UHFFFAOYSA-N
XLogP2.11
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol?
The IUPAC name of [5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol (CID 66636097) is [5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol.
What is the SMILES notation for [5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol?
The canonical SMILES for [5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol is Cc1cc(CO)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2n1.
What is the InChIKey of [5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol?
The InChIKey is ARNADARLCXYKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-10-15(12-26)25-19(20-13)22-17(23-25)8-9-18-21-16(11-24(18)2)14-6-4-3-5-7-14/h3-7,10-11,26H,8-9,12H2,1-2H3.
What are the key properties of [5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol?
[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol has a molecular weight of 348.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanol is sourced from PubChem (CID 66636097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).