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

C15H26N4O2 — CID 129346212

IUPAC(3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
SMILESCCn1ncnc1CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC
InChIInChI=1S/C15H26N4O2/c1-3-19-15(16-11-17-19)9-18-7-8-21-10-13(18)12-5-4-6-14(12)20-2/h11-14H,3-10H2,1-2H3/t12-,13+,14+/m0/s1
InChIKeyNXWXNILZSDLPTC-BFHYXJOUSA-N
MW294.40 g/mol
LogP1.31
Rot. Bonds5

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

(3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine (PubChem CID 129346212) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine.

Molecular Properties

Compound Name(3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
PubChem CID129346212
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
SMILESCCn1ncnc1CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC
InChIInChI=1S/C15H26N4O2/c1-3-19-15(16-11-17-19)9-18-7-8-21-10-13(18)12-5-4-6-14(12)20-2/h11-14H,3-10H2,1-2H3/t12-,13+,14+/m0/s1
InChIKeyNXWXNILZSDLPTC-BFHYXJOUSA-N
XLogP1.31
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(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-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine
CID 129346102
(3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 129346024
(3S)-4-(1H-imidazol-5-ylmethyl)-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129351443
4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129482744
(3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine
CID 129344798
4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine
CID 167762268
(3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine
CID 129491387
4-(2-ethylpyrazol-3-yl)sulfonyl-3-(2-methoxycyclopentyl)morpholine
CID 128975340
2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483436
5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 129351441

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine?
The IUPAC name of (3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine (CID 129346212) is (3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine.
What is the SMILES notation for (3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine?
The canonical SMILES for (3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine is CCn1ncnc1CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC.
What is the InChIKey of (3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine?
The InChIKey is NXWXNILZSDLPTC-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-19-15(16-11-17-19)9-18-7-8-21-10-13(18)12-5-4-6-14(12)20-2/h11-14H,3-10H2,1-2H3/t12-,13+,14+/m0/s1.
What are the key properties of (3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine?
(3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine has a molecular weight of 294.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine is sourced from PubChem (CID 129346212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).