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

C13H22N4O — CID 66434911

IUPAC2-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCn1nc(C2CCCC2)nc1CC1CNCCO1
InChIInChI=1S/C13H22N4O/c1-17-12(8-11-9-14-6-7-18-11)15-13(16-17)10-4-2-3-5-10/h10-11,14H,2-9H2,1H3
InChIKeyXSRAKINZDROFND-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.00
Rot. Bonds3

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

2-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 66434911) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID66434911
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCn1nc(C2CCCC2)nc1CC1CNCCO1
InChIInChI=1S/C13H22N4O/c1-17-12(8-11-9-14-6-7-18-11)15-13(16-17)10-4-2-3-5-10/h10-11,14H,2-9H2,1H3
InChIKeyXSRAKINZDROFND-UHFFFAOYSA-N
XLogP1.00
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.00
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)methyl]morpholine?
The IUPAC name of 2-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine (CID 66434911) is 2-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for 2-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for 2-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine is Cn1nc(C2CCCC2)nc1CC1CNCCO1.
What is the InChIKey of 2-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is XSRAKINZDROFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-12(8-11-9-14-6-7-18-11)15-13(16-17)10-4-2-3-5-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 2-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
2-[(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 250.35 g/mol, XLogP of 1.00, 3 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)methyl]morpholine is sourced from PubChem (CID 66434911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).