2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol

C15H12N6O — CID 155548704

IUPAC2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol
SMILESOc1ccccc1-n1cc(Cn2ccc3cncnc32)nn1
InChIInChI=1S/C15H12N6O/c22-14-4-2-1-3-13(14)21-9-12(18-19-21)8-20-6-5-11-7-16-10-17-15(11)20/h1-7,9-10,22H,8H2
InChIKeyCHHZEMIEVJYXMF-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.77
Rot. Bonds3

About 2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol

2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol (PubChem CID 155548704) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol
PubChem CID155548704
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol
SMILESOc1ccccc1-n1cc(Cn2ccc3cncnc32)nn1
InChIInChI=1S/C15H12N6O/c22-14-4-2-1-3-13(14)21-9-12(18-19-21)8-20-6-5-11-7-16-10-17-15(11)20/h1-7,9-10,22H,8H2
InChIKeyCHHZEMIEVJYXMF-UHFFFAOYSA-N
XLogP1.77
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-ethylpyrrolo[2,3-d]pyrimidine
CID 69299985
7-[[1-(2-fluorophenyl)triazol-4-yl]methyl]-5-(4-methoxypyrimidin-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518878
3-hydroxy-1-[(1-phenyltriazol-4-yl)methyl]pyridine-2-thione
CID 71139142
1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole
CID 122196144
2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol
CID 163509573
trimethyl-[2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)ethyl]silane
CID 58172492
4-(bromomethyl)-1-(2-methylphenyl)triazole
CID 62401939
2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol
CID 154737420
7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine
CID 174558301
3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol
CID 162768100
ethane;7-methylpyrrolo[2,3-d]pyrimidine
CID 155705341
1-methyl-6-[(1-phenyltriazol-4-yl)methyl]pyrrolo[2,3-c]pyridin-7-one
CID 166202293

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol?
The IUPAC name of 2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol (CID 155548704) is 2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol.
What is the SMILES notation for 2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol?
The canonical SMILES for 2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol is Oc1ccccc1-n1cc(Cn2ccc3cncnc32)nn1.
What is the InChIKey of 2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol?
The InChIKey is CHHZEMIEVJYXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c22-14-4-2-1-3-13(14)21-9-12(18-19-21)8-20-6-5-11-7-16-10-17-15(11)20/h1-7,9-10,22H,8H2.
What are the key properties of 2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol?
2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol has a molecular weight of 292.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)triazol-1-yl]phenol is sourced from PubChem (CID 155548704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).