1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea

C11H9ClN6O2 — CID 167868862

IUPAC1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea
SMILESO=C(NCc1ccon1)Nc1nc2cc(Cl)ccn2n1
InChIInChI=1S/C11H9ClN6O2/c12-7-1-3-18-9(5-7)14-10(16-18)15-11(19)13-6-8-2-4-20-17-8/h1-5H,6H2,(H2,13,15,16,19)
InChIKeyIVRMHZXZDZVPDN-UHFFFAOYSA-N
MW292.69 g/mol
LogP1.69
Rot. Bonds3

About 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea

1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 167868862) has the molecular formula C11H9ClN6O2 and a molecular weight of 292.69 g/mol. Its IUPAC name is 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID167868862
Molecular FormulaC11H9ClN6O2
Molecular Weight292.69 g/mol
Exact Mass292.05
IUPAC Name1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea
SMILESO=C(NCc1ccon1)Nc1nc2cc(Cl)ccn2n1
InChIInChI=1S/C11H9ClN6O2/c12-7-1-3-18-9(5-7)14-10(16-18)15-11(19)13-6-8-2-4-20-17-8/h1-5H,6H2,(H2,13,15,16,19)
InChIKeyIVRMHZXZDZVPDN-UHFFFAOYSA-N
XLogP1.69
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea (CID 167868862) is 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea is O=C(NCc1ccon1)Nc1nc2cc(Cl)ccn2n1.
What is the InChIKey of 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is IVRMHZXZDZVPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O2/c12-7-1-3-18-9(5-7)14-10(16-18)15-11(19)13-6-8-2-4-20-17-8/h1-5H,6H2,(H2,13,15,16,19).
What are the key properties of 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea?
1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 292.69 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 167868862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).