3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine

C11H20N4S — CID 66442912

IUPAC3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine
SMILESCc1nnc(CC2CSCCN2)n1C(C)C
InChIInChI=1S/C11H20N4S/c1-8(2)15-9(3)13-14-11(15)6-10-7-16-5-4-12-10/h8,10,12H,4-7H2,1-3H3
InChIKeyGFZDNZAGSOFERP-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.41
Rot. Bonds3

About 3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine

3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine (PubChem CID 66442912) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine
PubChem CID66442912
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine
SMILESCc1nnc(CC2CSCCN2)n1C(C)C
InChIInChI=1S/C11H20N4S/c1-8(2)15-9(3)13-14-11(15)6-10-7-16-5-4-12-10/h8,10,12H,4-7H2,1-3H3
InChIKeyGFZDNZAGSOFERP-UHFFFAOYSA-N
XLogP1.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
CID 66445041
3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66443481
3-[(4-ethylphenyl)methyl]thiomorpholine
CID 82286776
3-[(3-methylphenyl)methyl]thiomorpholine
CID 82283612
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one
CID 83871168
3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine
CID 66444646
3-(1-ethoxy-2-methylpropyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 116703126
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942258
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942310
3-(bromomethyl)thiomorpholine
CID 119096156
3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 116807073

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine?
The IUPAC name of 3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine (CID 66442912) is 3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine?
The canonical SMILES for 3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine is Cc1nnc(CC2CSCCN2)n1C(C)C.
What is the InChIKey of 3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine?
The InChIKey is GFZDNZAGSOFERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8(2)15-9(3)13-14-11(15)6-10-7-16-5-4-12-10/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine?
3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine has a molecular weight of 240.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine is sourced from PubChem (CID 66442912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).