4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

C18H17N5O — CID 122540396

IUPAC4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(NCC3CCOC3)cc3ncnn23)cc1
InChIInChI=1S/C18H17N5O/c19-9-13-1-3-15(4-2-13)17-7-16(8-18-21-12-22-23(17)18)20-10-14-5-6-24-11-14/h1-4,7-8,12,14,20H,5-6,10-11H2
InChIKeyGFOZTDWNJGZQIA-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.72
Rot. Bonds4

About 4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (PubChem CID 122540396) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
PubChem CID122540396
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(NCC3CCOC3)cc3ncnn23)cc1
InChIInChI=1S/C18H17N5O/c19-9-13-1-3-15(4-2-13)17-7-16(8-18-21-12-22-23(17)18)20-10-14-5-6-24-11-14/h1-4,7-8,12,14,20H,5-6,10-11H2
InChIKeyGFOZTDWNJGZQIA-UHFFFAOYSA-N
XLogP2.72
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-[(oxolan-3-ylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 122540466
4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 159107801
4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
CID 134336158
N-[5-(4-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide
CID 122540630
oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
CID 122540679
3-(oxolan-3-ylmethylamino)benzonitrile
CID 43194445
5-(4-cyanophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 122540294
3-fluoro-4-(oxolan-3-ylmethylamino)benzonitrile
CID 61040182
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 44580273
3-bromo-5-(oxan-4-ylmethylamino)benzonitrile
CID 102816464
2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile
CID 43721253
5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
CID 79839036

Frequently Asked Questions

What is the IUPAC name of 4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (CID 122540396) is 4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is N#Cc1ccc(-c2cc(NCC3CCOC3)cc3ncnn23)cc1.
What is the InChIKey of 4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The InChIKey is GFOZTDWNJGZQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-9-13-1-3-15(4-2-13)17-7-16(8-18-21-12-22-23(17)18)20-10-14-5-6-24-11-14/h1-4,7-8,12,14,20H,5-6,10-11H2.
What are the key properties of 4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile has a molecular weight of 319.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 122540396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).