3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol

C19H17N5O — CID 130450649

IUPAC3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol
SMILESNc1cc(C(Cc2cccc(O)c2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C19H17N5O/c20-17-11-16(18-19(21-17)23-24-22-18)15(13-6-2-1-3-7-13)10-12-5-4-8-14(25)9-12/h1-9,11,15,25H,10H2,(H3,20,21,22,23,24)
InChIKeyLANLKQONXVSALU-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.02
Rot. Bonds4

About 3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol

3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol (PubChem CID 130450649) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol.

Molecular Properties

Compound Name3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol
PubChem CID130450649
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol
SMILESNc1cc(C(Cc2cccc(O)c2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C19H17N5O/c20-17-11-16(18-19(21-17)23-24-22-18)15(13-6-2-1-3-7-13)10-12-5-4-8-14(25)9-12/h1-9,11,15,25H,10H2,(H3,20,21,22,23,24)
InChIKeyLANLKQONXVSALU-UHFFFAOYSA-N
XLogP3.02
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
3-hydroxybenzaldehyde (8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
CID 9567177
3-(1,2,3,4-Tetrahydro-[1,2,4]triazino[4,5-a]benzimidazol-1-yl)phenol
CID 60165523
4-[5-[(4-Fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol
CID 53372414
3-[6-Amino-2-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-yl]phenol
CID 17755497
2,6,9-Trisubstitute purine, 5
CID 54592274
4-[2-(3-Benzyl-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylamino)-ethyl]-phenol
CID 6487575
3-[(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol
CID 118708228
4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol
CID 155549214
7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162670874
6-(4-Ethylphenyl)-4-(3-hydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207583

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol?
The IUPAC name of 3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol (CID 130450649) is 3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol.
What is the SMILES notation for 3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol?
The canonical SMILES for 3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol is Nc1cc(C(Cc2cccc(O)c2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol?
The InChIKey is LANLKQONXVSALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c20-17-11-16(18-19(21-17)23-24-22-18)15(13-6-2-1-3-7-13)10-12-5-4-8-14(25)9-12/h1-9,11,15,25H,10H2,(H3,20,21,22,23,24).
What are the key properties of 3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol?
3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol has a molecular weight of 331.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenol is sourced from PubChem (CID 130450649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).