N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine

C9H16N4S — CID 114688765

IUPACN-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine
SMILESCNC(c1cnnn1C)C1CCCS1
InChIInChI=1S/C9H16N4S/c1-10-9(8-4-3-5-14-8)7-6-11-12-13(7)2/h6,8-10H,3-5H2,1-2H3
InChIKeyIRVLSMGQOZTMSX-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.97
Rot. Bonds3

About N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine

N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine (PubChem CID 114688765) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine
PubChem CID114688765
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine
SMILESCNC(c1cnnn1C)C1CCCS1
InChIInChI=1S/C9H16N4S/c1-10-9(8-4-3-5-14-8)7-6-11-12-13(7)2/h6,8-10H,3-5H2,1-2H3
InChIKeyIRVLSMGQOZTMSX-UHFFFAOYSA-N
XLogP0.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine 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

N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688768
1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688757
N-[(3-propyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688770
3-[methylamino(thiolan-2-yl)methyl]pyridin-4-amine
CID 80622128
N-methyl-1-(thiolan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 80622016
[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105255052
N-methyl-1-(2-propan-2-ylpyrazol-3-yl)-1-(thian-2-yl)methanamine
CID 114197696
1-isoquinolin-4-yl-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621787
1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621667
2-cyclopentyl-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 105043854
N-methyl-1-(2-phenylpyrazol-3-yl)-1-(thian-2-yl)methanamine
CID 107330811
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine (CID 114688765) is N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine is CNC(c1cnnn1C)C1CCCS1.
What is the InChIKey of N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine?
The InChIKey is IRVLSMGQOZTMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-10-9(8-4-3-5-14-8)7-6-11-12-13(7)2/h6,8-10H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine?
N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine has a molecular weight of 212.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine is sourced from PubChem (CID 114688765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).