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

C19H18N4O2 — CID 136678633

IUPAC2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol
SMILESCCOc1cc([C@H]2C=C(c3ccccc3)Nc3ncnn32)ccc1O
InChIInChI=1S/C19H18N4O2/c1-2-25-18-10-14(8-9-17(18)24)16-11-15(13-6-4-3-5-7-13)22-19-20-12-21-23(16)19/h3-12,16,24H,2H2,1H3,(H,20,21,22)/t16-/m1/s1
InChIKeyWMZLLMGLYRLABO-MRXNPFEDSA-N
MW334.38 g/mol
LogP3.44
Rot. Bonds4

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

2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol (PubChem CID 136678633) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol
PubChem CID136678633
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol
SMILESCCOc1cc([C@H]2C=C(c3ccccc3)Nc3ncnn32)ccc1O
InChIInChI=1S/C19H18N4O2/c1-2-25-18-10-14(8-9-17(18)24)16-11-15(13-6-4-3-5-7-13)22-19-20-12-21-23(16)19/h3-12,16,24H,2H2,1H3,(H,20,21,22)/t16-/m1/s1
InChIKeyWMZLLMGLYRLABO-MRXNPFEDSA-N
XLogP3.44
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(7R)-7-(3-ethoxy-4-hydroxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136882532
(7S)-7-(3,4-dimethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 708814
(7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136852419
N,N-diethyl-4-(5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)aniline
CID 3396363
(7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136715254
2-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol
CID 136829120
ethyl 7-(3-ethoxy-4-hydroxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3160691
(7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135681085
(7S)-7-(4-fluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2036282
(7S)-7-(4-chlorophenyl)-5-(4-ethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136852399
(7S)-7-(4-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135603089
(7S)-7-(4-hydroxy-3-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136813893

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol?
The IUPAC name of 2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol (CID 136678633) is 2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol?
The canonical SMILES for 2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol is CCOc1cc([C@H]2C=C(c3ccccc3)Nc3ncnn32)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol?
The InChIKey is WMZLLMGLYRLABO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-25-18-10-14(8-9-17(18)24)16-11-15(13-6-4-3-5-7-13)22-19-20-12-21-23(16)19/h3-12,16,24H,2H2,1H3,(H,20,21,22)/t16-/m1/s1.
What are the key properties of 2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol?
2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol has a molecular weight of 334.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(7R)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenol is sourced from PubChem (CID 136678633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).