3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one

C13H17N5O2 — CID 128525361

IUPAC3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one
SMILESO=C(C1CCc2nncn2C1)N1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H17N5O2/c19-12-6-17(8-18(12)10-2-3-10)13(20)9-1-4-11-15-14-7-16(11)5-9/h7,9-10H,1-6,8H2
InChIKeyMTOIRXTZAWJQFH-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.37
Rot. Bonds2

About 3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one

3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one (PubChem CID 128525361) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one
PubChem CID128525361
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one
SMILESO=C(C1CCc2nncn2C1)N1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H17N5O2/c19-12-6-17(8-18(12)10-2-3-10)13(20)9-1-4-11-15-14-7-16(11)5-9/h7,9-10H,1-6,8H2
InChIKeyMTOIRXTZAWJQFH-UHFFFAOYSA-N
XLogP-0.37
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one?
The IUPAC name of 3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one (CID 128525361) is 3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one.
What is the SMILES notation for 3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one?
The canonical SMILES for 3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one is O=C(C1CCc2nncn2C1)N1CC(=O)N(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one?
The InChIKey is MTOIRXTZAWJQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c19-12-6-17(8-18(12)10-2-3-10)13(20)9-1-4-11-15-14-7-16(11)5-9/h7,9-10H,1-6,8H2.
What are the key properties of 3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one?
3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one has a molecular weight of 275.31 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)imidazolidin-4-one is sourced from PubChem (CID 128525361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).