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

C18H26N6O — CID 84587077

IUPAC1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea
SMILESCCCC(NC(=O)NC1CCCn2nc(CC)nc21)c1ccccn1
InChIInChI=1S/C18H26N6O/c1-3-8-14(13-9-5-6-11-19-13)20-18(25)21-15-10-7-12-24-17(15)22-16(4-2)23-24/h5-6,9,11,14-15H,3-4,7-8,10,12H2,1-2H3,(H2,20,21,25)
InChIKeyWRYLCQAJIDVVNF-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.91
Rot. Bonds6

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

1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea (PubChem CID 84587077) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea.

Molecular Properties

Compound Name1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea
PubChem CID84587077
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea
SMILESCCCC(NC(=O)NC1CCCn2nc(CC)nc21)c1ccccn1
InChIInChI=1S/C18H26N6O/c1-3-8-14(13-9-5-6-11-19-13)20-18(25)21-15-10-7-12-24-17(15)22-16(4-2)23-24/h5-6,9,11,14-15H,3-4,7-8,10,12H2,1-2H3,(H2,20,21,25)
InChIKeyWRYLCQAJIDVVNF-UHFFFAOYSA-N
XLogP2.91
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea?
The IUPAC name of 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea (CID 84587077) is 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea.
What is the SMILES notation for 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea?
The canonical SMILES for 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea is CCCC(NC(=O)NC1CCCn2nc(CC)nc21)c1ccccn1.
What is the InChIKey of 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea?
The InChIKey is WRYLCQAJIDVVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-3-8-14(13-9-5-6-11-19-13)20-18(25)21-15-10-7-12-24-17(15)22-16(4-2)23-24/h5-6,9,11,14-15H,3-4,7-8,10,12H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea?
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea has a molecular weight of 342.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea is sourced from PubChem (CID 84587077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).