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

C13H22N4O — CID 62722908

IUPAC2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCn1nc(C2CCCCC2)nc1C1CNCCO1
InChIInChI=1S/C13H22N4O/c1-17-13(11-9-14-7-8-18-11)15-12(16-17)10-5-3-2-4-6-10/h10-11,14H,2-9H2,1H3
InChIKeySFBNDXBVVWUJEG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.52
Rot. Bonds2

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

2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 62722908) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID62722908
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCn1nc(C2CCCCC2)nc1C1CNCCO1
InChIInChI=1S/C13H22N4O/c1-17-13(11-9-14-7-8-18-11)15-12(16-17)10-5-3-2-4-6-10/h10-11,14H,2-9H2,1H3
InChIKeySFBNDXBVVWUJEG-UHFFFAOYSA-N
XLogP1.52
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine (CID 62722908) is 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine is Cn1nc(C2CCCCC2)nc1C1CNCCO1.
What is the InChIKey of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is SFBNDXBVVWUJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-13(11-9-14-7-8-18-11)15-12(16-17)10-5-3-2-4-6-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine?
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 250.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 62722908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).