1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea

C13H19N5O3 — CID 53204590

IUPAC1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea
SMILESCCOc1cccc2nnc(NC(=O)NCCCOC)n12
InChIInChI=1S/C13H19N5O3/c1-3-21-11-7-4-6-10-16-17-12(18(10)11)15-13(19)14-8-5-9-20-2/h4,6-7H,3,5,8-9H2,1-2H3,(H2,14,15,17,19)
InChIKeyMJHYRJHWZYKVAM-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.29
Rot. Bonds7

About 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea

1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea (PubChem CID 53204590) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea
PubChem CID53204590
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea
SMILESCCOc1cccc2nnc(NC(=O)NCCCOC)n12
InChIInChI=1S/C13H19N5O3/c1-3-21-11-7-4-6-10-16-17-12(18(10)11)15-13(19)14-8-5-9-20-2/h4,6-7H,3,5,8-9H2,1-2H3,(H2,14,15,17,19)
InChIKeyMJHYRJHWZYKVAM-UHFFFAOYSA-N
XLogP1.29
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 53204479
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114381
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
1-(3-ethoxypropyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea
CID 22577970
[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
CID 108865105
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
CID 47200679
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea
CID 134098121
3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052772
1-(3-methoxypropyl)-3-(3-methylsulfonylphenyl)urea
CID 47201415

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea?
The IUPAC name of 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea (CID 53204590) is 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea is CCOc1cccc2nnc(NC(=O)NCCCOC)n12.
What is the InChIKey of 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea?
The InChIKey is MJHYRJHWZYKVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-3-21-11-7-4-6-10-16-17-12(18(10)11)15-13(19)14-8-5-9-20-2/h4,6-7H,3,5,8-9H2,1-2H3,(H2,14,15,17,19).
What are the key properties of 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea?
1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea has a molecular weight of 293.33 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(3-methoxypropyl)urea is sourced from PubChem (CID 53204590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).