3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol

C17H21N5O — CID 133400016

IUPAC3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol
SMILESCCc1cc(NC(C)C(O)Cc2ccccc2)n2ncnc2n1
InChIInChI=1S/C17H21N5O/c1-3-14-10-16(22-17(21-14)18-11-19-22)20-12(2)15(23)9-13-7-5-4-6-8-13/h4-8,10-12,15,20,23H,3,9H2,1-2H3
InChIKeyUQZMUNMUNUTRDR-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.09
Rot. Bonds6

About 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol

3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol (PubChem CID 133400016) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol
PubChem CID133400016
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol
SMILESCCc1cc(NC(C)C(O)Cc2ccccc2)n2ncnc2n1
InChIInChI=1S/C17H21N5O/c1-3-14-10-16(22-17(21-14)18-11-19-22)20-12(2)15(23)9-13-7-5-4-6-8-13/h4-8,10-12,15,20,23H,3,9H2,1-2H3
InChIKeyUQZMUNMUNUTRDR-UHFFFAOYSA-N
XLogP2.09
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol?
The IUPAC name of 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol (CID 133400016) is 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol.
What is the SMILES notation for 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol?
The canonical SMILES for 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol is CCc1cc(NC(C)C(O)Cc2ccccc2)n2ncnc2n1.
What is the InChIKey of 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol?
The InChIKey is UQZMUNMUNUTRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-3-14-10-16(22-17(21-14)18-11-19-22)20-12(2)15(23)9-13-7-5-4-6-8-13/h4-8,10-12,15,20,23H,3,9H2,1-2H3.
What are the key properties of 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol?
3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol has a molecular weight of 311.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol is sourced from PubChem (CID 133400016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).