1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea

C11H14ClN5O2 — CID 86791264

IUPAC1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea
SMILESCC(C)(O)CNC(=O)Nc1nc2ccc(Cl)cn2n1
InChIInChI=1S/C11H14ClN5O2/c1-11(2,19)6-13-10(18)15-9-14-8-4-3-7(12)5-17(8)16-9/h3-5,19H,6H2,1-2H3,(H2,13,15,16,18)
InChIKeyGSRPCNQRLWEFSW-UHFFFAOYSA-N
MW283.72 g/mol
LogP1.28
Rot. Bonds3

About 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea

1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea (PubChem CID 86791264) has the molecular formula C11H14ClN5O2 and a molecular weight of 283.72 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea
PubChem CID86791264
Molecular FormulaC11H14ClN5O2
Molecular Weight283.72 g/mol
Exact Mass283.08
IUPAC Name1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea
SMILESCC(C)(O)CNC(=O)Nc1nc2ccc(Cl)cn2n1
InChIInChI=1S/C11H14ClN5O2/c1-11(2,19)6-13-10(18)15-9-14-8-4-3-7(12)5-17(8)16-9/h3-5,19H,6H2,1-2H3,(H2,13,15,16,18)
InChIKeyGSRPCNQRLWEFSW-UHFFFAOYSA-N
XLogP1.28
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea?
The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea (CID 86791264) is 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea is CC(C)(O)CNC(=O)Nc1nc2ccc(Cl)cn2n1.
What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea?
The InChIKey is GSRPCNQRLWEFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2/c1-11(2,19)6-13-10(18)15-9-14-8-4-3-7(12)5-17(8)16-9/h3-5,19H,6H2,1-2H3,(H2,13,15,16,18).
What are the key properties of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea?
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea has a molecular weight of 283.72 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 86791264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).