N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine

C10H18N4OS — CID 104604758

IUPACN-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine
SMILESCCNC1CCOCC1Sc1ncnn1C
InChIInChI=1S/C10H18N4OS/c1-3-11-8-4-5-15-6-9(8)16-10-12-7-13-14(10)2/h7-9,11H,3-6H2,1-2H3
InChIKeySKLZHVGJDVTTIQ-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.67
Rot. Bonds4

About N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine

N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine (PubChem CID 104604758) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine
PubChem CID104604758
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine
SMILESCCNC1CCOCC1Sc1ncnn1C
InChIInChI=1S/C10H18N4OS/c1-3-11-8-4-5-15-6-9(8)16-10-12-7-13-14(10)2/h7-9,11H,3-6H2,1-2H3
InChIKeySKLZHVGJDVTTIQ-UHFFFAOYSA-N
XLogP0.67
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine (CID 104604758) is N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine is CCNC1CCOCC1Sc1ncnn1C.
What is the InChIKey of N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine?
The InChIKey is SKLZHVGJDVTTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-11-8-4-5-15-6-9(8)16-10-12-7-13-14(10)2/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine?
N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine has a molecular weight of 242.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine is sourced from PubChem (CID 104604758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).