3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine

C8H14N4OS — CID 64628137

IUPAC3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine
SMILESCc1nc(SC2COCCC2N)n[nH]1
InChIInChI=1S/C8H14N4OS/c1-5-10-8(12-11-5)14-7-4-13-3-2-6(7)9/h6-7H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyPXXZPWYVUUNWLX-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.32
Rot. Bonds2

About 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine

3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine (PubChem CID 64628137) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine.

Molecular Properties

Compound Name3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine
PubChem CID64628137
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine
SMILESCc1nc(SC2COCCC2N)n[nH]1
InChIInChI=1S/C8H14N4OS/c1-5-10-8(12-11-5)14-7-4-13-3-2-6(7)9/h6-7H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyPXXZPWYVUUNWLX-UHFFFAOYSA-N
XLogP0.32
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine
CID 64634872
6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64626125
N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 64626127
(1R,2S,4S,5R,6R)-2-amino-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 71137008
N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine
CID 64722683
3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine
CID 64629845
3-(1,3-dioxolan-2-ylmethylsulfanyl)-5-methyl-1H-1,2,4-triazole
CID 130639204
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine
CID 64634495
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol
CID 6917258
cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 106324400
2-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
CID 64628380
methyl 2-(4-aminooxan-3-yl)sulfanylacetate
CID 64613955

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine?
The IUPAC name of 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine (CID 64628137) is 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine.
What is the SMILES notation for 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine?
The canonical SMILES for 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine is Cc1nc(SC2COCCC2N)n[nH]1.
What is the InChIKey of 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine?
The InChIKey is PXXZPWYVUUNWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5-10-8(12-11-5)14-7-4-13-3-2-6(7)9/h6-7H,2-4,9H2,1H3,(H,10,11,12).
What are the key properties of 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine?
3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine has a molecular weight of 214.29 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine is sourced from PubChem (CID 64628137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).