2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine

C12H20N4O — CID 62722881

IUPAC2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCn1nc(C2CCCC2)nc1C1CNCCO1
InChIInChI=1S/C12H20N4O/c1-16-12(10-8-13-6-7-17-10)14-11(15-16)9-4-2-3-5-9/h9-10,13H,2-8H2,1H3
InChIKeyGRSJRRYEBVBGLO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.13
Rot. Bonds2

About 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine

2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 62722881) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID62722881
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCn1nc(C2CCCC2)nc1C1CNCCO1
InChIInChI=1S/C12H20N4O/c1-16-12(10-8-13-6-7-17-10)14-11(15-16)9-4-2-3-5-9/h9-10,13H,2-8H2,1H3
InChIKeyGRSJRRYEBVBGLO-UHFFFAOYSA-N
XLogP1.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine (CID 62722881) is 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine is Cn1nc(C2CCCC2)nc1C1CNCCO1.
What is the InChIKey of 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is GRSJRRYEBVBGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-12(10-8-13-6-7-17-10)14-11(15-16)9-4-2-3-5-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine?
2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 236.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 62722881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).