2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol

C17H13ClN4O — CID 678873

IUPAC2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol
SMILESOc1ccccc1C1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H13ClN4O/c18-12-7-5-11(6-8-12)15-9-14(13-3-1-2-4-16(13)23)21-17-19-10-20-22(15)17/h1-8,10,15,23H,9H2/t15-/m1/s1
InChIKeyOEKBIIKUZMEOMM-OAHLLOKOSA-N
MW324.77 g/mol
LogP3.75
Rot. Bonds2

About 2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol

2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol (PubChem CID 678873) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol
PubChem CID678873
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol
SMILESOc1ccccc1C1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H13ClN4O/c18-12-7-5-11(6-8-12)15-9-14(13-3-1-2-4-16(13)23)21-17-19-10-20-22(15)17/h1-8,10,15,23H,9H2/t15-/m1/s1
InChIKeyOEKBIIKUZMEOMM-OAHLLOKOSA-N
XLogP3.75
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol with MolForge

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Related Compounds

2-[3-(4-bromophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136732265
4-hydroxy-6-methyl-3-(7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one
CID 135633328
4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135591660
2-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol
CID 2728675
2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135900294
1-(4-chlorophenyl)-2-[[7-(4-methoxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]sulfanyl]ethanone
CID 22426462
2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol
CID 947025
4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one
CID 136842657
2-[3-(2-bromophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136732263
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224
7-(4-chlorophenyl)-5-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75634678
3-(4-chlorophenyl)-5-naphthalen-1-yl-3,4-dihydropyrazole-2-carbothioamide
CID 66488142

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol?
The IUPAC name of 2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol (CID 678873) is 2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol.
What is the SMILES notation for 2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol?
The canonical SMILES for 2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol is Oc1ccccc1C1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol?
The InChIKey is OEKBIIKUZMEOMM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-12-7-5-11(6-8-12)15-9-14(13-3-1-2-4-16(13)23)21-17-19-10-20-22(15)17/h1-8,10,15,23H,9H2/t15-/m1/s1.
What are the key properties of 2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol?
2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol has a molecular weight of 324.77 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol is sourced from PubChem (CID 678873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).