4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine

C14H22F2N4O — CID 154744348

IUPAC4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine
SMILESCCn1c(C2CCC2)nnc1N1CCOC(C)(C(F)F)C1
InChIInChI=1S/C14H22F2N4O/c1-3-20-11(10-5-4-6-10)17-18-13(20)19-7-8-21-14(2,9-19)12(15)16/h10,12H,3-9H2,1-2H3
InChIKeyMBVSBYGRTXHPER-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.43
Rot. Bonds4

About 4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine

4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine (PubChem CID 154744348) has the molecular formula C14H22F2N4O and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine
PubChem CID154744348
Molecular FormulaC14H22F2N4O
Molecular Weight300.35 g/mol
Exact Mass300.18
IUPAC Name4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine
SMILESCCn1c(C2CCC2)nnc1N1CCOC(C)(C(F)F)C1
InChIInChI=1S/C14H22F2N4O/c1-3-20-11(10-5-4-6-10)17-18-13(20)19-7-8-21-14(2,9-19)12(15)16/h10,12H,3-9H2,1-2H3
InChIKeyMBVSBYGRTXHPER-UHFFFAOYSA-N
XLogP2.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621331
(6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane
CID 164633704
N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 164636521
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
4-({4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70716883
4-[4-[5-Methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 72855250
4-{[5-(1,4-dioxan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl}-1-methylpiperidine
CID 72893292
trans-3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765055
cis-3-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91766313
4-[[4-methyl-5-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95860948
4-[[4-methyl-5-[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95860949
4-[[5-[(2R)-1,4-dioxan-2-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine
CID 97444737

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine?
The IUPAC name of 4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine (CID 154744348) is 4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine.
What is the SMILES notation for 4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine?
The canonical SMILES for 4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine is CCn1c(C2CCC2)nnc1N1CCOC(C)(C(F)F)C1.
What is the InChIKey of 4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine?
The InChIKey is MBVSBYGRTXHPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O/c1-3-20-11(10-5-4-6-10)17-18-13(20)19-7-8-21-14(2,9-19)12(15)16/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine?
4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine has a molecular weight of 300.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-(difluoromethyl)-2-methylmorpholine is sourced from PubChem (CID 154744348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).