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

C14H10N4O — CID 122540739

IUPAC4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(CO)cc3ncnn23)cc1
InChIInChI=1S/C14H10N4O/c15-7-10-1-3-12(4-2-10)13-5-11(8-19)6-14-16-9-17-18(13)14/h1-6,9,19H,8H2
InChIKeyZZNRUONACXNPDC-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.76
Rot. Bonds2

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

4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (PubChem CID 122540739) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
PubChem CID122540739
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(CO)cc3ncnn23)cc1
InChIInChI=1S/C14H10N4O/c15-7-10-1-3-12(4-2-10)13-5-11(8-19)6-14-16-9-17-18(13)14/h1-6,9,19H,8H2
InChIKeyZZNRUONACXNPDC-UHFFFAOYSA-N
XLogP1.76
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (CID 122540739) is 4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is N#Cc1ccc(-c2cc(CO)cc3ncnn23)cc1.
What is the InChIKey of 4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The InChIKey is ZZNRUONACXNPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c15-7-10-1-3-12(4-2-10)13-5-11(8-19)6-14-16-9-17-18(13)14/h1-6,9,19H,8H2.
What are the key properties of 4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile has a molecular weight of 250.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 122540739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).