[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone

C18H17N5O2 — CID 124740594

IUPAC[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1
InChIInChI=1S/C18H17N5O2/c24-18(14-5-4-8-19-11-14)22-9-10-25-12-16(22)17-20-13-21-23(17)15-6-2-1-3-7-15/h1-8,11,13,16H,9-10,12H2/t16-/m1/s1
InChIKeyUUYHVBMGPLKQAG-MRXNPFEDSA-N
MW335.37 g/mol
LogP1.88
Rot. Bonds3

About [(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone

[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone (PubChem CID 124740594) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is [(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone
PubChem CID124740594
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1
InChIInChI=1S/C18H17N5O2/c24-18(14-5-4-8-19-11-14)22-9-10-25-12-16(22)17-20-13-21-23(17)15-6-2-1-3-7-15/h1-8,11,13,16H,9-10,12H2/t16-/m1/s1
InChIKeyUUYHVBMGPLKQAG-MRXNPFEDSA-N
XLogP1.88
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone 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

2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 129487298
4-[[3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]benzoic acid
CID 122034052
(3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine
CID 125142323
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
(3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
CID 124882883
(3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
CID 124882773
3-(pyridine-3-carbonyl)-1,3-thiazolidine-2-carboxylic acid
CID 22256724
(8-methylindolizin-2-yl)-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 136565165
phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 133140572
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 124996414
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
(3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 167986271

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone (CID 124740594) is [(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1.
What is the InChIKey of [(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone?
The InChIKey is UUYHVBMGPLKQAG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-18(14-5-4-8-19-11-14)22-9-10-25-12-16(22)17-20-13-21-23(17)15-6-2-1-3-7-15/h1-8,11,13,16H,9-10,12H2/t16-/m1/s1.
What are the key properties of [(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone?
[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone has a molecular weight of 335.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 124740594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).