4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

C17H17N5O — CID 122540646

IUPAC4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESCC(C)(O)CNc1cc(-c2ccc(C#N)cc2)n2ncnc2c1
InChIInChI=1S/C17H17N5O/c1-17(2,23)10-19-14-7-15(22-16(8-14)20-11-21-22)13-5-3-12(9-18)4-6-13/h3-8,11,19,23H,10H2,1-2H3
InChIKeyQWPUYQJBBNNHQJ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.45
Rot. Bonds4

About 4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (PubChem CID 122540646) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
PubChem CID122540646
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESCC(C)(O)CNc1cc(-c2ccc(C#N)cc2)n2ncnc2c1
InChIInChI=1S/C17H17N5O/c1-17(2,23)10-19-14-7-15(22-16(8-14)20-11-21-22)13-5-3-12(9-18)4-6-13/h3-8,11,19,23H,10H2,1-2H3
InChIKeyQWPUYQJBBNNHQJ-UHFFFAOYSA-N
XLogP2.45
TPSA86.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (CID 122540646) is 4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is CC(C)(O)CNc1cc(-c2ccc(C#N)cc2)n2ncnc2c1.
What is the InChIKey of 4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The InChIKey is QWPUYQJBBNNHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-17(2,23)10-19-14-7-15(22-16(8-14)20-11-21-22)13-5-3-12(9-18)4-6-13/h3-8,11,19,23H,10H2,1-2H3.
What are the key properties of 4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile has a molecular weight of 307.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 122540646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).