(2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol

C19H23N5O — CID 97452196

IUPAC(2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol
SMILESCCc1nc(-c2cnc(-c3ccccc3)nc2C)n(C[C@H](O)CC)n1
InChIInChI=1S/C19H23N5O/c1-4-15(25)12-24-19(22-17(5-2)23-24)16-11-20-18(21-13(16)3)14-9-7-6-8-10-14/h6-11,15,25H,4-5,12H2,1-3H3/t15-/m1/s1
InChIKeyYVOWAMNRKPNKMV-OAHLLOKOSA-N
MW337.43 g/mol
LogP3.04
Rot. Bonds6

About (2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol

(2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol (PubChem CID 97452196) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol
PubChem CID97452196
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol
SMILESCCc1nc(-c2cnc(-c3ccccc3)nc2C)n(C[C@H](O)CC)n1
InChIInChI=1S/C19H23N5O/c1-4-15(25)12-24-19(22-17(5-2)23-24)16-11-20-18(21-13(16)3)14-9-7-6-8-10-14/h6-11,15,25H,4-5,12H2,1-3H3/t15-/m1/s1
InChIKeyYVOWAMNRKPNKMV-OAHLLOKOSA-N
XLogP3.04
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol (CID 97452196) is (2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol is CCc1nc(-c2cnc(-c3ccccc3)nc2C)n(C[C@H](O)CC)n1.
What is the InChIKey of (2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol?
The InChIKey is YVOWAMNRKPNKMV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-15(25)12-24-19(22-17(5-2)23-24)16-11-20-18(21-13(16)3)14-9-7-6-8-10-14/h6-11,15,25H,4-5,12H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol?
(2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol has a molecular weight of 337.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol is sourced from PubChem (CID 97452196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).