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

C16H28N4O2 — CID 129346102

IUPAC(3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine
SMILESCCc1nnc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2OC)n1C
InChIInChI=1S/C16H28N4O2/c1-4-15-17-18-16(19(15)2)10-20-8-9-22-11-13(20)12-6-5-7-14(12)21-3/h12-14H,4-11H2,1-3H3/t12-,13-,14-/m1/s1
InChIKeyIXECBVOKJFEVDF-MGPQQGTHSA-N
MW308.43 g/mol
LogP1.39
Rot. Bonds5

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

(3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine (PubChem CID 129346102) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine.

Molecular Properties

Compound Name(3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine
PubChem CID129346102
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine
SMILESCCc1nnc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2OC)n1C
InChIInChI=1S/C16H28N4O2/c1-4-15-17-18-16(19(15)2)10-20-8-9-22-11-13(20)12-6-5-7-14(12)21-3/h12-14H,4-11H2,1-3H3/t12-,13-,14-/m1/s1
InChIKeyIXECBVOKJFEVDF-MGPQQGTHSA-N
XLogP1.39
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 129346024
(3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129346212
(3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine
CID 129344798
(3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129345896
(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine
CID 129346205
(3S)-4-(1H-imidazol-5-ylmethyl)-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129351443
5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 129351441
4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129482744
4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine
CID 167762268
2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483436
3-fluoro-4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483966
2-fluoro-5-[[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483754

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine?
The IUPAC name of (3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine (CID 129346102) is (3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine.
What is the SMILES notation for (3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine?
The canonical SMILES for (3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine is CCc1nnc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2OC)n1C.
What is the InChIKey of (3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine?
The InChIKey is IXECBVOKJFEVDF-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-15-17-18-16(19(15)2)10-20-8-9-22-11-13(20)12-6-5-7-14(12)21-3/h12-14H,4-11H2,1-3H3/t12-,13-,14-/m1/s1.
What are the key properties of (3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine?
(3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine has a molecular weight of 308.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine is sourced from PubChem (CID 129346102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).