4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine

C13H18N6OS — CID 127728912

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(C2CN(c3nc(C4CC4)ns3)CCO2)n[nH]1
InChIInChI=1S/C13H18N6OS/c1-2-10-14-12(17-16-10)9-7-19(5-6-20-9)13-15-11(18-21-13)8-3-4-8/h8-9H,2-7H2,1H3,(H,14,16,17)
InChIKeyHGYJJFDSTZJBSF-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.67
Rot. Bonds4

About 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 127728912) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID127728912
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(C2CN(c3nc(C4CC4)ns3)CCO2)n[nH]1
InChIInChI=1S/C13H18N6OS/c1-2-10-14-12(17-16-10)9-7-19(5-6-20-9)13-15-11(18-21-13)8-3-4-8/h8-9H,2-7H2,1H3,(H,14,16,17)
InChIKeyHGYJJFDSTZJBSF-UHFFFAOYSA-N
XLogP1.67
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (CID 127728912) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is CCc1nc(C2CN(c3nc(C4CC4)ns3)CCO2)n[nH]1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is HGYJJFDSTZJBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-2-10-14-12(17-16-10)9-7-19(5-6-20-9)13-15-11(18-21-13)8-3-4-8/h8-9H,2-7H2,1H3,(H,14,16,17).
What are the key properties of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 306.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 127728912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).