1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea

C11H15N5O — CID 53204471

IUPAC1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCCC(C)NC(=O)Nc1nnc2ccccn12
InChIInChI=1S/C11H15N5O/c1-3-8(2)12-11(17)13-10-15-14-9-6-4-5-7-16(9)10/h4-8H,3H2,1-2H3,(H2,12,13,15,17)
InChIKeyMRUYTGVDKZTUDU-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.65
Rot. Bonds3

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

1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (PubChem CID 53204471) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
PubChem CID53204471
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCCC(C)NC(=O)Nc1nnc2ccccn12
InChIInChI=1S/C11H15N5O/c1-3-8(2)12-11(17)13-10-15-14-9-6-4-5-7-16(9)10/h4-8H,3H2,1-2H3,(H2,12,13,15,17)
InChIKeyMRUYTGVDKZTUDU-UHFFFAOYSA-N
XLogP1.65
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The IUPAC name of 1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (CID 53204471) is 1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The canonical SMILES for 1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is CCC(C)NC(=O)Nc1nnc2ccccn12.
What is the InChIKey of 1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The InChIKey is MRUYTGVDKZTUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-8(2)12-11(17)13-10-15-14-9-6-4-5-7-16(9)10/h4-8H,3H2,1-2H3,(H2,12,13,15,17).
What are the key properties of 1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea has a molecular weight of 233.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is sourced from PubChem (CID 53204471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).