(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride

C6H14Cl2N4S — CID 75480383

IUPAC(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
SMILESCCSc1nnc(CN)n1C.Cl.Cl
InChIInChI=1S/C6H12N4S.2ClH/c1-3-11-6-9-8-5(4-7)10(6)2;;/h3-4,7H2,1-2H3;2*1H
InChIKeyGEAHDJOAAKDOGA-UHFFFAOYSA-N
MW245.18 g/mol
LogP1.23
Rot. Bonds3

About (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride

(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride (PubChem CID 75480383) has the molecular formula C6H14Cl2N4S and a molecular weight of 245.18 g/mol. Its IUPAC name is (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
PubChem CID75480383
Molecular FormulaC6H14Cl2N4S
Molecular Weight245.18 g/mol
Exact Mass244.03
IUPAC Name(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
SMILESCCSc1nnc(CN)n1C.Cl.Cl
InChIInChI=1S/C6H12N4S.2ClH/c1-3-11-6-9-8-5(4-7)10(6)2;;/h3-4,7H2,1-2H3;2*1H
InChIKeyGEAHDJOAAKDOGA-UHFFFAOYSA-N
XLogP1.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The IUPAC name of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride (CID 75480383) is (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The canonical SMILES for (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride is CCSc1nnc(CN)n1C.Cl.Cl.
What is the InChIKey of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The InChIKey is GEAHDJOAAKDOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S.2ClH/c1-3-11-6-9-8-5(4-7)10(6)2;;/h3-4,7H2,1-2H3;2*1H.
What are the key properties of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride has a molecular weight of 245.18 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 75480383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).