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

C14H19N5O2 — CID 71895061

IUPAC1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
SMILESCC(NC(=O)NCc1nnc2ccccn12)C1CCCO1
InChIInChI=1S/C14H19N5O2/c1-10(11-5-4-8-21-11)16-14(20)15-9-13-18-17-12-6-2-3-7-19(12)13/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,15,16,20)
InChIKeyXXJXZYLITFQWGL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.10
Rot. Bonds4

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

1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea (PubChem CID 71895061) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
PubChem CID71895061
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
SMILESCC(NC(=O)NCc1nnc2ccccn12)C1CCCO1
InChIInChI=1S/C14H19N5O2/c1-10(11-5-4-8-21-11)16-14(20)15-9-13-18-17-12-6-2-3-7-19(12)13/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,15,16,20)
InChIKeyXXJXZYLITFQWGL-UHFFFAOYSA-N
XLogP1.10
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea (CID 71895061) is 1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea is CC(NC(=O)NCc1nnc2ccccn12)C1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The InChIKey is XXJXZYLITFQWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10(11-5-4-8-21-11)16-14(20)15-9-13-18-17-12-6-2-3-7-19(12)13/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,15,16,20).
What are the key properties of 1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea has a molecular weight of 289.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea is sourced from PubChem (CID 71895061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).