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

C15H26N4O2 — CID 129344798

IUPAC(3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine
SMILESCCc1n[nH]c(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2OC)n1
InChIInChI=1S/C15H26N4O2/c1-3-14-16-15(18-17-14)9-19-7-8-21-10-12(19)11-5-4-6-13(11)20-2/h11-13H,3-10H2,1-2H3,(H,16,17,18)/t11-,12-,13+/m1/s1
InChIKeyHEKIZXGRGIWPCD-UPJWGTAASA-N
MW294.40 g/mol
LogP1.38
Rot. Bonds5

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

(3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine (PubChem CID 129344798) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine.

Molecular Properties

Compound Name(3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine
PubChem CID129344798
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine
SMILESCCc1n[nH]c(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2OC)n1
InChIInChI=1S/C15H26N4O2/c1-3-14-16-15(18-17-14)9-19-7-8-21-10-12(19)11-5-4-6-13(11)20-2/h11-13H,3-10H2,1-2H3,(H,16,17,18)/t11-,12-,13+/m1/s1
InChIKeyHEKIZXGRGIWPCD-UPJWGTAASA-N
XLogP1.38
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine?
The IUPAC name of (3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine (CID 129344798) is (3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine.
What is the SMILES notation for (3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine?
The canonical SMILES for (3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine is CCc1n[nH]c(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2OC)n1.
What is the InChIKey of (3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine?
The InChIKey is HEKIZXGRGIWPCD-UPJWGTAASA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-14-16-15(18-17-14)9-19-7-8-21-10-12(19)11-5-4-6-13(11)20-2/h11-13H,3-10H2,1-2H3,(H,16,17,18)/t11-,12-,13+/m1/s1.
What are the key properties of (3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine?
(3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine has a molecular weight of 294.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine is sourced from PubChem (CID 129344798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).