2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol

C10H18N4OS — CID 64807848

IUPAC2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
SMILESCNC(CO)(CSc1nncn1C)C1CC1
InChIInChI=1S/C10H18N4OS/c1-11-10(5-15,8-3-4-8)6-16-9-13-12-7-14(9)2/h7-8,11,15H,3-6H2,1-2H3
InChIKeyVSLZWFQJHDIJSY-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.27
Rot. Bonds6

About 2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol

2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol (PubChem CID 64807848) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
PubChem CID64807848
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
SMILESCNC(CO)(CSc1nncn1C)C1CC1
InChIInChI=1S/C10H18N4OS/c1-11-10(5-15,8-3-4-8)6-16-9-13-12-7-14(9)2/h7-8,11,15H,3-6H2,1-2H3
InChIKeyVSLZWFQJHDIJSY-UHFFFAOYSA-N
XLogP0.27
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol with MolForge

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Related Compounds

2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 64807236
2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 64807850
2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propan-1-ol
CID 64808598
3-(4-tert-butylphenyl)sulfanyl-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 64807451
2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol
CID 64806394
2-cyclopropyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanenitrile
CID 63907621
3-(cycloheptylmethylsulfanyl)-4-methyl-1,2,4-triazole
CID 86790923
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)propan-1-ol
CID 64807982
3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328
2-methyl-2-(methylamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 64806820
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64807032
[1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79582029

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol (CID 64807848) is 2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol is CNC(CO)(CSc1nncn1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The InChIKey is VSLZWFQJHDIJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-11-10(5-15,8-3-4-8)6-16-9-13-12-7-14(9)2/h7-8,11,15H,3-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol has a molecular weight of 242.35 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 64807848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).