2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine

C9H16N4S — CID 102672726

IUPAC2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine
SMILESCC1SCCC1NCc1ncn(C)n1
InChIInChI=1S/C9H16N4S/c1-7-8(3-4-14-7)10-5-9-11-6-13(2)12-9/h6-8,10H,3-5H2,1-2H3
InChIKeyOASMMXBIXHVLSP-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.80
Rot. Bonds3

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

2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine (PubChem CID 102672726) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine
PubChem CID102672726
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine
SMILESCC1SCCC1NCc1ncn(C)n1
InChIInChI=1S/C9H16N4S/c1-7-8(3-4-14-7)10-5-9-11-6-13(2)12-9/h6-8,10H,3-5H2,1-2H3
InChIKeyOASMMXBIXHVLSP-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 103907127
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thian-4-amine
CID 103884514
2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103907086
1-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238950
2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine
CID 102671342
2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine
CID 130628513
2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine
CID 131002911
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113349402
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 103884508
2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine
CID 102671469
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine
CID 103907068
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 115881375

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine?
The IUPAC name of 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine (CID 102672726) is 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine?
The canonical SMILES for 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine is CC1SCCC1NCc1ncn(C)n1.
What is the InChIKey of 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine?
The InChIKey is OASMMXBIXHVLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-8(3-4-14-7)10-5-9-11-6-13(2)12-9/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine?
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine has a molecular weight of 212.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 102672726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).