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

C12H17N5O2 — CID 47481211

IUPAC1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
SMILESCCNC(=O)NCCCn1nc2ccccn2c1=O
InChIInChI=1S/C12H17N5O2/c1-2-13-11(18)14-7-5-9-17-12(19)16-8-4-3-6-10(16)15-17/h3-4,6,8H,2,5,7,9H2,1H3,(H2,13,14,18)
InChIKeyGNEIWJZBKLHYET-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.21
Rot. Bonds5

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

1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea (PubChem CID 47481211) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
PubChem CID47481211
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
SMILESCCNC(=O)NCCCn1nc2ccccn2c1=O
InChIInChI=1S/C12H17N5O2/c1-2-13-11(18)14-7-5-9-17-12(19)16-8-4-3-6-10(16)15-17/h3-4,6,8H,2,5,7,9H2,1H3,(H2,13,14,18)
InChIKeyGNEIWJZBKLHYET-UHFFFAOYSA-N
XLogP0.21
TPSA80.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea?
The IUPAC name of 1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea (CID 47481211) is 1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea?
The canonical SMILES for 1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea is CCNC(=O)NCCCn1nc2ccccn2c1=O.
What is the InChIKey of 1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea?
The InChIKey is GNEIWJZBKLHYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-2-13-11(18)14-7-5-9-17-12(19)16-8-4-3-6-10(16)15-17/h3-4,6,8H,2,5,7,9H2,1H3,(H2,13,14,18).
What are the key properties of 1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea?
1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea has a molecular weight of 263.30 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea is sourced from PubChem (CID 47481211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).