3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine

C15H27N5O — CID 91773711

IUPAC3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)nnc1C1CC(N)C1
InChIInChI=1S/C15H27N5O/c1-4-20-14(9-19-7-10(2)21-11(3)8-19)17-18-15(20)12-5-13(16)6-12/h10-13H,4-9,16H2,1-3H3/t10-,11+,12?,13?
InChIKeyVTWXLVMQTKRECA-MPEURRAXSA-N
MW293.41 g/mol
LogP1.11
Rot. Bonds4

About 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91773711) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91773711
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)nnc1C1CC(N)C1
InChIInChI=1S/C15H27N5O/c1-4-20-14(9-19-7-10(2)21-11(3)8-19)17-18-15(20)12-5-13(16)6-12/h10-13H,4-9,16H2,1-3H3/t10-,11+,12?,13?
InChIKeyVTWXLVMQTKRECA-MPEURRAXSA-N
XLogP1.11
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70704629
2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-4-(cyclobutylmethyl)morpholine
CID 72122513
[trans-3-(4-methyl-5-{[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91792047
cis-3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765640
(cis-3-{4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91770191
(3R)-1-{[5-(cis-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-3-ol
CID 91774698
1-{[5-(trans-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 91777892
(cis-3-{4-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91793433
1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
CID 110210749
(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
(3S)-3-(cyclobutylmethyl)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 164642277

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91773711) is 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCn1c(CN2C[C@@H](C)O[C@@H](C)C2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is VTWXLVMQTKRECA-MPEURRAXSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-20-14(9-19-7-10(2)21-11(3)8-19)17-18-15(20)12-5-13(16)6-12/h10-13H,4-9,16H2,1-3H3/t10-,11+,12?,13?.
What are the key properties of 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91773711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).