2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol

C18H16N6O — CID 11588006

IUPAC2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol
SMILESOCCc1ccc(-n2nnc3cnc(Nc4ccccc4)nc32)cc1
InChIInChI=1S/C18H16N6O/c25-11-10-13-6-8-15(9-7-13)24-17-16(22-23-24)12-19-18(21-17)20-14-4-2-1-3-5-14/h1-9,12,25H,10-11H2,(H,19,20,21)
InChIKeyZSVYYZURSRVGQQ-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.49
Rot. Bonds5

About 2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol

2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol (PubChem CID 11588006) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol
PubChem CID11588006
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol
SMILESOCCc1ccc(-n2nnc3cnc(Nc4ccccc4)nc32)cc1
InChIInChI=1S/C18H16N6O/c25-11-10-13-6-8-15(9-7-13)24-17-16(22-23-24)12-19-18(21-17)20-14-4-2-1-3-5-14/h1-9,12,25H,10-11H2,(H,19,20,21)
InChIKeyZSVYYZURSRVGQQ-UHFFFAOYSA-N
XLogP2.49
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]methyl]cyclopropanecarboxamide
CID 11545488
5-[4-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrazol-1-yl]pentan-1-ol
CID 123417343
3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 71667332
(E)-3-[3-[[3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]phenyl]prop-2-enoic acid
CID 70338306
3-N-[3-(3,5-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]benzene-1,3-diamine
CID 70338594
4-N-[3-[3-[(1-cyclopropylethenylamino)methyl]phenyl]triazolo[4,5-d]pyrimidin-5-yl]benzene-1,4-diamine
CID 89336343
4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide
CID 44561384
3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 58691451
3-azulen-2-yl-N-cyclopentyltriazolo[4,5-d]pyrimidin-5-amine
CID 144695368
3-phenyltriazolo[4,5-d]pyrimidine-5-carbonitrile
CID 23258943
3-(4-ethoxyphenyl)-N-[1-(3-methoxypropyl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 71668072
3-(3-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 58691441

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol?
The IUPAC name of 2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol (CID 11588006) is 2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol?
The canonical SMILES for 2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol is OCCc1ccc(-n2nnc3cnc(Nc4ccccc4)nc32)cc1.
What is the InChIKey of 2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol?
The InChIKey is ZSVYYZURSRVGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c25-11-10-13-6-8-15(9-7-13)24-17-16(22-23-24)12-19-18(21-17)20-14-4-2-1-3-5-14/h1-9,12,25H,10-11H2,(H,19,20,21).
What are the key properties of 2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol?
2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol has a molecular weight of 332.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol is sourced from PubChem (CID 11588006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).