4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine

C19H27N5O — CID 97279651

IUPAC4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine
SMILESCc1nc([C@H](c2cccnc2)N2CCOCC2)n(C2CCCCC2)n1
InChIInChI=1S/C19H27N5O/c1-15-21-19(24(22-15)17-7-3-2-4-8-17)18(16-6-5-9-20-14-16)23-10-12-25-13-11-23/h5-6,9,14,17-18H,2-4,7-8,10-13H2,1H3/t18-/m0/s1
InChIKeyWZHVKTBCJGDSJU-SFHVURJKSA-N
MW341.46 g/mol
LogP2.91
Rot. Bonds4

About 4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine

4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine (PubChem CID 97279651) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine
PubChem CID97279651
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine
SMILESCc1nc([C@H](c2cccnc2)N2CCOCC2)n(C2CCCCC2)n1
InChIInChI=1S/C19H27N5O/c1-15-21-19(24(22-15)17-7-3-2-4-8-17)18(16-6-5-9-20-14-16)23-10-12-25-13-11-23/h5-6,9,14,17-18H,2-4,7-8,10-13H2,1H3/t18-/m0/s1
InChIKeyWZHVKTBCJGDSJU-SFHVURJKSA-N
XLogP2.91
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine with MolForge

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Related Compounds

4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72931664
(2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97188095
4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 56875402
3-[1-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 97276057
(2R)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203648
(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203647
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetonitrile
CID 1478936
4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine
CID 1438561
3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-8-methyl-1H-quinolin-2-one
CID 653718

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine?
The IUPAC name of 4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine (CID 97279651) is 4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine.
What is the SMILES notation for 4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine?
The canonical SMILES for 4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine is Cc1nc([C@H](c2cccnc2)N2CCOCC2)n(C2CCCCC2)n1.
What is the InChIKey of 4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine?
The InChIKey is WZHVKTBCJGDSJU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-21-19(24(22-15)17-7-3-2-4-8-17)18(16-6-5-9-20-14-16)23-10-12-25-13-11-23/h5-6,9,14,17-18H,2-4,7-8,10-13H2,1H3/t18-/m0/s1.
What are the key properties of 4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine?
4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine has a molecular weight of 341.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine is sourced from PubChem (CID 97279651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).