2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol

C12H24N4OS — CID 106247179

IUPAC2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCc1ncnn1CC(C)C
InChIInChI=1S/C12H24N4OS/c1-10(2)6-16-11(14-9-15-16)5-13-7-12(3,17)8-18-4/h9-10,13,17H,5-8H2,1-4H3
InChIKeyPBZXNAPHEHSXII-UHFFFAOYSA-N
MW272.42 g/mol
LogP1.14
Rot. Bonds8

About 2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol

2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol (PubChem CID 106247179) has the molecular formula C12H24N4OS and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol
PubChem CID106247179
Molecular FormulaC12H24N4OS
Molecular Weight272.42 g/mol
Exact Mass272.17
IUPAC Name2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCc1ncnn1CC(C)C
InChIInChI=1S/C12H24N4OS/c1-10(2)6-16-11(14-9-15-16)5-13-7-12(3,17)8-18-4/h9-10,13,17H,5-8H2,1-4H3
InChIKeyPBZXNAPHEHSXII-UHFFFAOYSA-N
XLogP1.14
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol with MolForge

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Related Compounds

2-Methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117507
3-methylsulfanyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 65600680
2-methyl-3-methylsulfanyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 65600681
2-Methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 65603204
2-Methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol
CID 65603412
N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-methylsulfanylethanamine
CID 65606646
2-methylsulfanyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 65606647
N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-3-methylsulfanylpropan-1-amine
CID 65606853
3-methylsulfanyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 65606854
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 65606855
2-methyl-3-methylsulfanyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 65606856
2-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-3-methylsulfanylpropan-1-amine
CID 65607059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol?
The IUPAC name of 2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol (CID 106247179) is 2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNCc1ncnn1CC(C)C.
What is the InChIKey of 2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol?
The InChIKey is PBZXNAPHEHSXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4OS/c1-10(2)6-16-11(14-9-15-16)5-13-7-12(3,17)8-18-4/h9-10,13,17H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol?
2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol has a molecular weight of 272.42 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106247179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).