1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea

C17H29N5O2 — CID 75499239

IUPAC1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCCC(CC)C1CC(NC(=O)NC2CCCn3ncnc32)CCO1
InChIInChI=1S/C17H29N5O2/c1-3-12(4-2)15-10-13(7-9-24-15)20-17(23)21-14-6-5-8-22-16(14)18-11-19-22/h11-15H,3-10H2,1-2H3,(H2,20,21,23)
InChIKeyOTZBPEQZFQYRBM-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.40
Rot. Bonds5

About 1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea

1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (PubChem CID 75499239) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
PubChem CID75499239
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCCC(CC)C1CC(NC(=O)NC2CCCn3ncnc32)CCO1
InChIInChI=1S/C17H29N5O2/c1-3-12(4-2)15-10-13(7-9-24-15)20-17(23)21-14-6-5-8-22-16(14)18-11-19-22/h11-15H,3-10H2,1-2H3,(H2,20,21,23)
InChIKeyOTZBPEQZFQYRBM-UHFFFAOYSA-N
XLogP2.40
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The IUPAC name of 1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (CID 75499239) is 1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.
What is the SMILES notation for 1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The canonical SMILES for 1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is CCC(CC)C1CC(NC(=O)NC2CCCn3ncnc32)CCO1.
What is the InChIKey of 1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The InChIKey is OTZBPEQZFQYRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-3-12(4-2)15-10-13(7-9-24-15)20-17(23)21-14-6-5-8-22-16(14)18-11-19-22/h11-15H,3-10H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea has a molecular weight of 335.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is sourced from PubChem (CID 75499239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).