1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

C14H19N5O2 — CID 99783503

IUPAC1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESC[C@H](NC(=O)Nc1nc2ccccn2n1)C1CCOCC1
InChIInChI=1S/C14H19N5O2/c1-10(11-5-8-21-9-6-11)15-14(20)17-13-16-12-4-2-3-7-19(12)18-13/h2-4,7,10-11H,5-6,8-9H2,1H3,(H2,15,17,18,20)/t10-/m0/s1
InChIKeyHSBAZVCBPYOFLZ-JTQLQIEISA-N
MW289.34 g/mol
LogP1.67
Rot. Bonds3

About 1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 99783503) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
PubChem CID99783503
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESC[C@H](NC(=O)Nc1nc2ccccn2n1)C1CCOCC1
InChIInChI=1S/C14H19N5O2/c1-10(11-5-8-21-9-6-11)15-14(20)17-13-16-12-4-2-3-7-19(12)18-13/h2-4,7,10-11H,5-6,8-9H2,1H3,(H2,15,17,18,20)/t10-/m0/s1
InChIKeyHSBAZVCBPYOFLZ-JTQLQIEISA-N
XLogP1.67
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (CID 99783503) is 1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is C[C@H](NC(=O)Nc1nc2ccccn2n1)C1CCOCC1.
What is the InChIKey of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is HSBAZVCBPYOFLZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10(11-5-8-21-9-6-11)15-14(20)17-13-16-12-4-2-3-7-19(12)18-13/h2-4,7,10-11H,5-6,8-9H2,1H3,(H2,15,17,18,20)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 289.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(oxan-4-yl)ethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 99783503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).