2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol

C22H23N5O — CID 129019483

IUPAC2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)nc(C)n2n1
InChIInChI=1S/C22H23N5O/c1-15-19(17-7-4-3-5-8-17)9-6-10-20(15)22-25-21-13-18(14-23-11-12-28)24-16(2)27(21)26-22/h3-10,13,23,28H,11-12,14H2,1-2H3
InChIKeyJWNRAKFCVGVIGH-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.16
Rot. Bonds6

About 2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol

2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol (PubChem CID 129019483) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol
PubChem CID129019483
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)nc(C)n2n1
InChIInChI=1S/C22H23N5O/c1-15-19(17-7-4-3-5-8-17)9-6-10-20(15)22-25-21-13-18(14-23-11-12-28)24-16(2)27(21)26-22/h3-10,13,23,28H,11-12,14H2,1-2H3
InChIKeyJWNRAKFCVGVIGH-UHFFFAOYSA-N
XLogP3.16
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-(2-Methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methylamino]ethanol
CID 129019494
3-[(3-Fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121426224
N',N'-dimethyl-N-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
CID 1970320
N-benzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4366552
3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 647327
5-Methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 684862
4-(2-Methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1850847
2-methyl-3-phenyl-5-propyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1861043
N-[2-(dimethylamino)ethyl]-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.0^{3,7}]dodeca-2,7,9,11-tetraen-2-amine
CID 1862402
N-(2-methoxyethyl)-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
CID 1970922
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3231326

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol?
The IUPAC name of 2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol (CID 129019483) is 2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol?
The canonical SMILES for 2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol is Cc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)nc(C)n2n1.
What is the InChIKey of 2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol?
The InChIKey is JWNRAKFCVGVIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15-19(17-7-4-3-5-8-17)9-6-10-20(15)22-25-21-13-18(14-23-11-12-28)24-16(2)27(21)26-22/h3-10,13,23,28H,11-12,14H2,1-2H3.
What are the key properties of 2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol?
2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol has a molecular weight of 373.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(2-methyl-3-phenylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methylamino]ethanol is sourced from PubChem (CID 129019483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).