(2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine

C18H26N6O — CID 124622467

IUPAC(2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc([C@H]2CN(Cc3nnc(C4CC4)n3C3CC3)CCO2)cn1
InChIInChI=1S/C18H26N6O/c1-2-23-10-14(9-19-23)16-11-22(7-8-25-16)12-17-20-21-18(13-3-4-13)24(17)15-5-6-15/h9-10,13,15-16H,2-8,11-12H2,1H3/t16-/m1/s1
InChIKeySQALSXVKIOMPCO-MRXNPFEDSA-N
MW342.45 g/mol
LogP2.28
Rot. Bonds6

About (2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine

(2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine (PubChem CID 124622467) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine
PubChem CID124622467
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc([C@H]2CN(Cc3nnc(C4CC4)n3C3CC3)CCO2)cn1
InChIInChI=1S/C18H26N6O/c1-2-23-10-14(9-19-23)16-11-22(7-8-25-16)12-17-20-21-18(13-3-4-13)24(17)15-5-6-15/h9-10,13,15-16H,2-8,11-12H2,1H3/t16-/m1/s1
InChIKeySQALSXVKIOMPCO-MRXNPFEDSA-N
XLogP2.28
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 126804830
(2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 124622469
2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole
CID 126810576
N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline
CID 124622494
4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide
CID 79681565
(2R)-4-(3,5-dichloro-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 100646745
1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one
CID 126841376
(2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400024
1-benzyl-4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72880455
4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine
CID 72861012
2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 124622493

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine?
The IUPAC name of (2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine (CID 124622467) is (2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine?
The canonical SMILES for (2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine is CCn1cc([C@H]2CN(Cc3nnc(C4CC4)n3C3CC3)CCO2)cn1.
What is the InChIKey of (2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine?
The InChIKey is SQALSXVKIOMPCO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N6O/c1-2-23-10-14(9-19-23)16-11-22(7-8-25-16)12-17-20-21-18(13-3-4-13)24(17)15-5-6-15/h9-10,13,15-16H,2-8,11-12H2,1H3/t16-/m1/s1.
What are the key properties of (2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine?
(2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine has a molecular weight of 342.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine is sourced from PubChem (CID 124622467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).