2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol

C18H17N5O — CID 127028197

IUPAC2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2cn(-c3c[nH]c4ncccc34)nn2)cc1
InChIInChI=1S/C18H17N5O/c1-18(2,24)13-7-5-12(6-8-13)15-11-23(22-21-15)16-10-20-17-14(16)4-3-9-19-17/h3-11,24H,1-2H3,(H,19,20)
InChIKeyOCXXALMNWDMXSV-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.04
Rot. Bonds3

About 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol

2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol (PubChem CID 127028197) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol
PubChem CID127028197
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2cn(-c3c[nH]c4ncccc34)nn2)cc1
InChIInChI=1S/C18H17N5O/c1-18(2,24)13-7-5-12(6-8-13)15-11-23(22-21-15)16-10-20-17-14(16)4-3-9-19-17/h3-11,24H,1-2H3,(H,19,20)
InChIKeyOCXXALMNWDMXSV-UHFFFAOYSA-N
XLogP3.04
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol (CID 127028197) is 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol is CC(C)(O)c1ccc(-c2cn(-c3c[nH]c4ncccc34)nn2)cc1.
What is the InChIKey of 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol?
The InChIKey is OCXXALMNWDMXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-18(2,24)13-7-5-12(6-8-13)15-11-23(22-21-15)16-10-20-17-14(16)4-3-9-19-17/h3-11,24H,1-2H3,(H,19,20).
What are the key properties of 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol?
2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol has a molecular weight of 319.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]phenyl]propan-2-ol is sourced from PubChem (CID 127028197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).