4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole

C7H16N4S — CID 123770086

IUPAC4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole
SMILESCC(C)n1cc(S(C)(C)N)nn1
InChIInChI=1S/C7H16N4S/c1-6(2)11-5-7(9-10-11)12(3,4)8/h5-6H,8H2,1-4H3
InChIKeyZQUUJRQVMZLOAG-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.16
Rot. Bonds2

About 4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole

4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole (PubChem CID 123770086) has the molecular formula C7H16N4S and a molecular weight of 188.30 g/mol. Its IUPAC name is 4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole.

Molecular Properties

Compound Name4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole
PubChem CID123770086
Molecular FormulaC7H16N4S
Molecular Weight188.30 g/mol
Exact Mass188.11
IUPAC Name4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole
SMILESCC(C)n1cc(S(C)(C)N)nn1
InChIInChI=1S/C7H16N4S/c1-6(2)11-5-7(9-10-11)12(3,4)8/h5-6H,8H2,1-4H3
InChIKeyZQUUJRQVMZLOAG-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole?
The IUPAC name of 4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole (CID 123770086) is 4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole.
What is the SMILES notation for 4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole?
The canonical SMILES for 4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole is CC(C)n1cc(S(C)(C)N)nn1.
What is the InChIKey of 4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole?
The InChIKey is ZQUUJRQVMZLOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4S/c1-6(2)11-5-7(9-10-11)12(3,4)8/h5-6H,8H2,1-4H3.
What are the key properties of 4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole?
4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole has a molecular weight of 188.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(dimethyl)-λ4-sulfanyl]-1-propan-2-yltriazole is sourced from PubChem (CID 123770086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).