1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol

C21H24N6O — CID 44548117

IUPAC1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol
SMILESCc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CC(C)O)nc2n1
InChIInChI=1S/C21H24N6O/c1-14-11-15(2)27-21(22-14)24-19(25-27)9-10-20-23-18(13-26(20)12-16(3)28)17-7-5-4-6-8-17/h4-8,11,13,16,28H,9-10,12H2,1-3H3
InChIKeyZWZHAWCKFMTSMU-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.77
Rot. Bonds6

About 1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol

1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol (PubChem CID 44548117) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol
PubChem CID44548117
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol
SMILESCc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CC(C)O)nc2n1
InChIInChI=1S/C21H24N6O/c1-14-11-15(2)27-21(22-14)24-19(25-27)9-10-20-23-18(13-26(20)12-16(3)28)17-7-5-4-6-8-17/h4-8,11,13,16,28H,9-10,12H2,1-3H3
InChIKeyZWZHAWCKFMTSMU-UHFFFAOYSA-N
XLogP2.77
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol (CID 44548117) is 1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol is Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CC(C)O)nc2n1.
What is the InChIKey of 1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol?
The InChIKey is ZWZHAWCKFMTSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-11-15(2)27-21(22-14)24-19(25-27)9-10-20-23-18(13-26(20)12-16(3)28)17-7-5-4-6-8-17/h4-8,11,13,16,28H,9-10,12H2,1-3H3.
What are the key properties of 1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol?
1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol has a molecular weight of 376.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-4-phenylimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 44548117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).