1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea

C13H19N5O — CID 95317728

IUPAC1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea
SMILESCCC[C@@H](NC(=O)NCC)c1nnc2ccccn12
InChIInChI=1S/C13H19N5O/c1-3-7-10(15-13(19)14-4-2)12-17-16-11-8-5-6-9-18(11)12/h5-6,8-10H,3-4,7H2,1-2H3,(H2,14,15,19)/t10-/m1/s1
InChIKeyFGCUAHMFXBZOGZ-SNVBAGLBSA-N
MW261.33 g/mol
LogP1.89
Rot. Bonds5

About 1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea

1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea (PubChem CID 95317728) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea
PubChem CID95317728
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea
SMILESCCC[C@@H](NC(=O)NCC)c1nnc2ccccn12
InChIInChI=1S/C13H19N5O/c1-3-7-10(15-13(19)14-4-2)12-17-16-11-8-5-6-9-18(11)12/h5-6,8-10H,3-4,7H2,1-2H3,(H2,14,15,19)/t10-/m1/s1
InChIKeyFGCUAHMFXBZOGZ-SNVBAGLBSA-N
XLogP1.89
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
CID 51103792
1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 86876901
1-[[4-(diethylamino)-3-fluorophenyl]methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea
CID 86903088
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea
CID 86876888
1-(2-hydroxypentyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111337892
1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 86876885
tert-butyl N-[4-oxo-4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylamino]butyl]carbamate
CID 60614861
(3S)-1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylcarbamoyl]piperidine-3-carboxylic acid
CID 154786571
2,2,2-trichloro-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 23474192
1-[2-(4-methoxyphenyl)ethyl]-3-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 121240686
1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47012876
3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 138507184

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea?
The IUPAC name of 1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea (CID 95317728) is 1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea.
What is the SMILES notation for 1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea?
The canonical SMILES for 1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea is CCC[C@@H](NC(=O)NCC)c1nnc2ccccn12.
What is the InChIKey of 1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea?
The InChIKey is FGCUAHMFXBZOGZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-7-10(15-13(19)14-4-2)12-17-16-11-8-5-6-9-18(11)12/h5-6,8-10H,3-4,7H2,1-2H3,(H2,14,15,19)/t10-/m1/s1.
What are the key properties of 1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea?
1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea has a molecular weight of 261.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea is sourced from PubChem (CID 95317728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).