2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol

C21H21N5O2 — CID 133477232

IUPAC2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol
SMILESCOCc1cc(NCC(O)c2ccc(-c3ccccc3)cc2)n2ncnc2n1
InChIInChI=1S/C21H21N5O2/c1-28-13-18-11-20(26-21(25-18)23-14-24-26)22-12-19(27)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-11,14,19,22,27H,12-13H2,1H3
InChIKeyOVSPAOLBHKBJFC-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.08
Rot. Bonds7

About 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol

2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol (PubChem CID 133477232) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol
PubChem CID133477232
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol
SMILESCOCc1cc(NCC(O)c2ccc(-c3ccccc3)cc2)n2ncnc2n1
InChIInChI=1S/C21H21N5O2/c1-28-13-18-11-20(26-21(25-18)23-14-24-26)22-12-19(27)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-11,14,19,22,27H,12-13H2,1H3
InChIKeyOVSPAOLBHKBJFC-UHFFFAOYSA-N
XLogP3.08
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol with MolForge

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Related Compounds

(2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol
CID 95326962
(2S)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol
CID 95326963
1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
CID 133314695
N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 16767887
5-(methoxymethyl)-N-(3-methyl-3-phenylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133349979
5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
5-(methoxymethyl)-N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99104311
1-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133271945
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133324043
1-(3,4-difluorophenyl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 51079447
5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133274615

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol?
The IUPAC name of 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol (CID 133477232) is 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol.
What is the SMILES notation for 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol?
The canonical SMILES for 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol is COCc1cc(NCC(O)c2ccc(-c3ccccc3)cc2)n2ncnc2n1.
What is the InChIKey of 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol?
The InChIKey is OVSPAOLBHKBJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-28-13-18-11-20(26-21(25-18)23-14-24-26)22-12-19(27)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-11,14,19,22,27H,12-13H2,1H3.
What are the key properties of 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol?
2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol has a molecular weight of 375.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol is sourced from PubChem (CID 133477232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).