(3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine

C15H26N4O — CID 164642277

IUPAC(3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCCc1nnc(CN2CCOC[C@@H]2CC2CCC2)n1C
InChIInChI=1S/C15H26N4O/c1-3-14-16-17-15(18(14)2)10-19-7-8-20-11-13(19)9-12-5-4-6-12/h12-13H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyCYROGHPYKDDZFV-ZDUSSCGKSA-N
MW278.40 g/mol
LogP1.77
Rot. Bonds5

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

(3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 164642277) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID164642277
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCCc1nnc(CN2CCOC[C@@H]2CC2CCC2)n1C
InChIInChI=1S/C15H26N4O/c1-3-14-16-17-15(18(14)2)10-19-7-8-20-11-13(19)9-12-5-4-6-12/h12-13H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyCYROGHPYKDDZFV-ZDUSSCGKSA-N
XLogP1.77
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine with MolForge

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Related Compounds

4-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70704629
4-[[5-[(3S)-1-heptan-4-ylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95896823
trans-3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765055
4-(5-Cyclohexyl-4-methyl-1,2,4-triazol-3-yl)morpholine
CID 140111462
7-[2-(2-methylcyclohexyl)oxyethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53620223
1-[(5-Ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-[2-(2-methylcyclohexyl)oxyethyl]piperazine
CID 56778679
4-{[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70735359
4-{[5-(1-cyclopentylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70735932
4-({4-methyl-5-[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70741208
4-({5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70742274
4-({5-[1-(cyclobutylmethyl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70744289
4-{[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70770959

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The IUPAC name of (3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine (CID 164642277) is (3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for (3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for (3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine is CCc1nnc(CN2CCOC[C@@H]2CC2CCC2)n1C.
What is the InChIKey of (3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is CYROGHPYKDDZFV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-14-16-17-15(18(14)2)10-19-7-8-20-11-13(19)9-12-5-4-6-12/h12-13H,3-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
(3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 278.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine is sourced from PubChem (CID 164642277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).