N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C12H13N5O — CID 136574302

IUPACN-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCCC(C#N)NC(=O)c1ccc2ncnn2c1
InChIInChI=1S/C12H13N5O/c1-2-3-10(6-13)16-12(18)9-4-5-11-14-8-15-17(11)7-9/h4-5,7-8,10H,2-3H2,1H3,(H,16,18)
InChIKeyOUWJASAXNVVEOG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.15
Rot. Bonds4

About N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 136574302) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID136574302
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCCC(C#N)NC(=O)c1ccc2ncnn2c1
InChIInChI=1S/C12H13N5O/c1-2-3-10(6-13)16-12(18)9-4-5-11-14-8-15-17(11)7-9/h4-5,7-8,10H,2-3H2,1H3,(H,16,18)
InChIKeyOUWJASAXNVVEOG-UHFFFAOYSA-N
XLogP1.15
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 96523164
N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893927
2-chloro-N-(1-cyanobutyl)-6-methylpyridine-4-carboxamide
CID 104952754
N-(1-cyanobutyl)-3-propan-2-yloxybenzamide
CID 62921514
N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865389
N-(1-cyanobutyl)-3-methylsulfonylbenzamide
CID 61121684
3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 136574314
N-(1-cyanobutyl)-2,6-dimethoxybenzamide
CID 61120301
N-[(1S)-1-cyanobutyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 95284180
3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide
CID 66462809
N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
CID 82829779
N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide
CID 61407019

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 136574302) is N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CCCC(C#N)NC(=O)c1ccc2ncnn2c1.
What is the InChIKey of N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is OUWJASAXNVVEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-2-3-10(6-13)16-12(18)9-4-5-11-14-8-15-17(11)7-9/h4-5,7-8,10H,2-3H2,1H3,(H,16,18).
What are the key properties of N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 136574302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).