[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine

C10H15N5OS — CID 63315673

IUPAC[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCc1noc(C)c1CSc1nnc(CN)n1C
InChIInChI=1S/C10H15N5OS/c1-6-8(7(2)16-14-6)5-17-10-13-12-9(4-11)15(10)3/h4-5,11H2,1-3H3
InChIKeyVOZKKIFOQMMFNU-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.17
Rot. Bonds4

About [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine

[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 63315673) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID63315673
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCc1noc(C)c1CSc1nnc(CN)n1C
InChIInChI=1S/C10H15N5OS/c1-6-8(7(2)16-14-6)5-17-10-13-12-9(4-11)15(10)3/h4-5,11H2,1-3H3
InChIKeyVOZKKIFOQMMFNU-UHFFFAOYSA-N
XLogP1.17
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313190
[4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63315717
[5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63313414
[4-methyl-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 154906563
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
CID 2524080
3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 4842107
(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 75480383
[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 121496539
4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 35696308
3-(4-tert-butylphenyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 8892315
[5-[(4-bromothiophen-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63313024
[5-[(1,5-dimethylpyrazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 154904918

Frequently Asked Questions

What is the IUPAC name of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine (CID 63315673) is [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine is Cc1noc(C)c1CSc1nnc(CN)n1C.
What is the InChIKey of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is VOZKKIFOQMMFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-6-8(7(2)16-14-6)5-17-10-13-12-9(4-11)15(10)3/h4-5,11H2,1-3H3.
What are the key properties of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine?
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 253.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63315673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).