1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine

C7H14N4O2S — CID 115649274

IUPAC1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1ncnc1CC(N)CS(C)(=O)=O
InChIInChI=1S/C7H14N4O2S/c1-11-7(9-5-10-11)3-6(8)4-14(2,12)13/h5-6H,3-4,8H2,1-2H3
InChIKeyYQTXNACYAPGUAD-UHFFFAOYSA-N
MW218.28 g/mol
LogP-1.27
Rot. Bonds4

About 1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine

1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 115649274) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID115649274
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1ncnc1CC(N)CS(C)(=O)=O
InChIInChI=1S/C7H14N4O2S/c1-11-7(9-5-10-11)3-6(8)4-14(2,12)13/h5-6H,3-4,8H2,1-2H3
InChIKeyYQTXNACYAPGUAD-UHFFFAOYSA-N
XLogP-1.27
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105316531
3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79052789
N-methyl-3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 104997856
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997860
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891
3-[(2-methyl-1,2,4-triazol-3-yl)methylsulfonyl]butan-1-amine
CID 81195552
[1-methylsulfonyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105317418
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
CID 115649859
1-(2-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159432
1-(4,5-dibromothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997576
3-amino-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one
CID 116551792

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine (CID 115649274) is 1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine is Cn1ncnc1CC(N)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is YQTXNACYAPGUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-11-7(9-5-10-11)3-6(8)4-14(2,12)13/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 218.28 g/mol, XLogP of -1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 115649274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).