2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol

C14H21N5O — CID 131889168

IUPAC2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol
SMILESCCCc1ncncc1-c1nc(C(C)C)nn1CCO
InChIInChI=1S/C14H21N5O/c1-4-5-12-11(8-15-9-16-12)14-17-13(10(2)3)18-19(14)6-7-20/h8-10,20H,4-7H2,1-3H3
InChIKeyAWWIHAOXEOLKLC-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.80
Rot. Bonds6

About 2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol

2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 131889168) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol
PubChem CID131889168
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol
SMILESCCCc1ncncc1-c1nc(C(C)C)nn1CCO
InChIInChI=1S/C14H21N5O/c1-4-5-12-11(8-15-9-16-12)14-17-13(10(2)3)18-19(14)6-7-20/h8-10,20H,4-7H2,1-3H3
InChIKeyAWWIHAOXEOLKLC-UHFFFAOYSA-N
XLogP1.80
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol (CID 131889168) is 2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol is CCCc1ncncc1-c1nc(C(C)C)nn1CCO.
What is the InChIKey of 2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is AWWIHAOXEOLKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-5-12-11(8-15-9-16-12)14-17-13(10(2)3)18-19(14)6-7-20/h8-10,20H,4-7H2,1-3H3.
What are the key properties of 2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol?
2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 275.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-propan-2-yl-5-(4-propylpyrimidin-5-yl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 131889168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).