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

C14H18ClN5O — CID 129338594

IUPAC(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCn1cnnc1[C@H]1CN(Cc2ccncc2Cl)CCO1
InChIInChI=1S/C14H18ClN5O/c1-2-20-10-17-18-14(20)13-9-19(5-6-21-13)8-11-3-4-16-7-12(11)15/h3-4,7,10,13H,2,5-6,8-9H2,1H3/t13-/m1/s1
InChIKeyNIJOMCGUDRXTAU-CYBMUJFWSA-N
MW307.78 g/mol
LogP1.92
Rot. Bonds4

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

(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129338594) has the molecular formula C14H18ClN5O and a molecular weight of 307.78 g/mol. Its IUPAC name is (2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129338594
Molecular FormulaC14H18ClN5O
Molecular Weight307.78 g/mol
Exact Mass307.12
IUPAC Name(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCn1cnnc1[C@H]1CN(Cc2ccncc2Cl)CCO1
InChIInChI=1S/C14H18ClN5O/c1-2-20-10-17-18-14(20)13-9-19(5-6-21-13)8-11-3-4-16-7-12(11)15/h3-4,7,10,13H,2,5-6,8-9H2,1H3/t13-/m1/s1
InChIKeyNIJOMCGUDRXTAU-CYBMUJFWSA-N
XLogP1.92
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129001246
(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129331530
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332069
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862
5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129340117
4-[[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-3-methoxybenzonitrile
CID 129335963
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 129337565
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine
CID 128996126
4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine
CID 77085876

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (CID 129338594) is (2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is CCn1cnnc1[C@H]1CN(Cc2ccncc2Cl)CCO1.
What is the InChIKey of (2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is NIJOMCGUDRXTAU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-2-20-10-17-18-14(20)13-9-19(5-6-21-13)8-11-3-4-16-7-12(11)15/h3-4,7,10,13H,2,5-6,8-9H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 307.78 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129338594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).