(2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine

C19H21N5O — CID 95224109

IUPAC(2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1cnccc1-n1nc(-c2ccccc2)nc1C[C@@H]1CNCCO1
InChIInChI=1S/C19H21N5O/c1-14-12-20-8-7-17(14)24-18(11-16-13-21-9-10-25-16)22-19(23-24)15-5-3-2-4-6-15/h2-8,12,16,21H,9-11,13H2,1H3/t16-/m1/s1
InChIKeySFOSHKAIJYBTJJ-MRXNPFEDSA-N
MW335.41 g/mol
LogP2.17
Rot. Bonds4

About (2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine

(2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 95224109) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID95224109
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1cnccc1-n1nc(-c2ccccc2)nc1C[C@@H]1CNCCO1
InChIInChI=1S/C19H21N5O/c1-14-12-20-8-7-17(14)24-18(11-16-13-21-9-10-25-16)22-19(23-24)15-5-3-2-4-6-15/h2-8,12,16,21H,9-11,13H2,1H3/t16-/m1/s1
InChIKeySFOSHKAIJYBTJJ-MRXNPFEDSA-N
XLogP2.17
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine with MolForge

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Related Compounds

2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride
CID 171686957
(2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445359
(2R)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445358
2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
CID 66434955
2-[(1-ethylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
CID 66434957
6-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46987796
2-[(2-pyridin-3-ylphenyl)methyl]morpholine
CID 173109639
2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 72881736
(2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97455033
2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]morpholine
CID 66434375
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]morpholine
CID 79817912

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of (2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 95224109) is (2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for (2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for (2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine is Cc1cnccc1-n1nc(-c2ccccc2)nc1C[C@@H]1CNCCO1.
What is the InChIKey of (2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is SFOSHKAIJYBTJJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-12-20-8-7-17(14)24-18(11-16-13-21-9-10-25-16)22-19(23-24)15-5-3-2-4-6-15/h2-8,12,16,21H,9-11,13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine?
(2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 335.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 95224109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).