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

C10H16N4S — CID 66445463

IUPAC3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine
SMILESC1CSCC(Cc2nc(C3CC3)n[nH]2)N1
InChIInChI=1S/C10H16N4S/c1-2-7(1)10-12-9(13-14-10)5-8-6-15-4-3-11-8/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyFYWWVLVOIZRINA-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.93
Rot. Bonds3

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

3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine (PubChem CID 66445463) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine
PubChem CID66445463
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine
SMILESC1CSCC(Cc2nc(C3CC3)n[nH]2)N1
InChIInChI=1S/C10H16N4S/c1-2-7(1)10-12-9(13-14-10)5-8-6-15-4-3-11-8/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyFYWWVLVOIZRINA-UHFFFAOYSA-N
XLogP0.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine?
The IUPAC name of 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine (CID 66445463) is 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine?
The canonical SMILES for 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine is C1CSCC(Cc2nc(C3CC3)n[nH]2)N1.
What is the InChIKey of 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine?
The InChIKey is FYWWVLVOIZRINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-2-7(1)10-12-9(13-14-10)5-8-6-15-4-3-11-8/h7-8,11H,1-6H2,(H,12,13,14).
What are the key properties of 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine?
3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine has a molecular weight of 224.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]thiomorpholine is sourced from PubChem (CID 66445463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).