1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C12H24N4O3S — CID 106990963

IUPAC1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CSc1nnc(N)n1C(C)C
InChIInChI=1S/C12H24N4O3S/c1-8(2)16-11(13)14-15-12(16)20-7-10(17)6-19-9(3)5-18-4/h8-10,17H,5-7H2,1-4H3,(H2,13,14)
InChIKeyOUMGZSDYUDGXMJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.95
Rot. Bonds9

About 1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106990963) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106990963
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CSc1nnc(N)n1C(C)C
InChIInChI=1S/C12H24N4O3S/c1-8(2)16-11(13)14-15-12(16)20-7-10(17)6-19-9(3)5-18-4/h8-10,17H,5-7H2,1-4H3,(H2,13,14)
InChIKeyOUMGZSDYUDGXMJ-UHFFFAOYSA-N
XLogP0.95
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

3-[(5-Amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol
CID 63901707
2-[2-[(5-Amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethanol
CID 61469097
5-(2-Methoxyethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63090089
5-(2-Ethoxyethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63090794
5-(2-Butoxyethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63090963
5-(Oxolan-2-ylmethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63091864
Propan-2-yl 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 63091869
4-Propan-2-yl-5-(2-propan-2-yloxyethylsulfanyl)-1,2,4-triazol-3-amine
CID 63092053
3-[(5-Amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 63094884
2-[(5-Amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol
CID 63094889
1-[(5-Amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol
CID 63094891
1-[(5-Amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 63095071

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106990963) is 1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CSc1nnc(N)n1C(C)C.
What is the InChIKey of 1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is OUMGZSDYUDGXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-8(2)16-11(13)14-15-12(16)20-7-10(17)6-19-9(3)5-18-4/h8-10,17H,5-7H2,1-4H3,(H2,13,14).
What are the key properties of 1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 304.42 g/mol, XLogP of 0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106990963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).