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

C19H22ClN5O — CID 171686957

IUPAC2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride
SMILESCc1cnccc1-n1nc(-c2ccccc2)nc1CC1CNCCO1.Cl
InChIInChI=1S/C19H21N5O.ClH/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;1H
InChIKeyIIOKFVZHHMOTBJ-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.59
Rot. Bonds4

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

2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride (PubChem CID 171686957) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride
PubChem CID171686957
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride
SMILESCc1cnccc1-n1nc(-c2ccccc2)nc1CC1CNCCO1.Cl
InChIInChI=1S/C19H21N5O.ClH/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;1H
InChIKeyIIOKFVZHHMOTBJ-UHFFFAOYSA-N
XLogP2.59
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95224109
(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
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
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-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120836949

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride?
The IUPAC name of 2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride (CID 171686957) is 2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride.
What is the SMILES notation for 2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride?
The canonical SMILES for 2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride is Cc1cnccc1-n1nc(-c2ccccc2)nc1CC1CNCCO1.Cl.
What is the InChIKey of 2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride?
The InChIKey is IIOKFVZHHMOTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O.ClH/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;1H.
What are the key properties of 2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride?
2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride is sourced from PubChem (CID 171686957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).