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

C5H12Cl2N4S — CID 75480384

IUPAC(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
SMILESCSc1nnc(CN)n1C.Cl.Cl
InChIInChI=1S/C5H10N4S.2ClH/c1-9-4(3-6)7-8-5(9)10-2;;/h3,6H2,1-2H3;2*1H
InChIKeyHFKDXNIOFKQBGV-UHFFFAOYSA-N
MW231.15 g/mol
LogP0.84
Rot. Bonds2

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

(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride (PubChem CID 75480384) has the molecular formula C5H12Cl2N4S and a molecular weight of 231.15 g/mol. Its IUPAC name is (4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
PubChem CID75480384
Molecular FormulaC5H12Cl2N4S
Molecular Weight231.15 g/mol
Exact Mass230.02
IUPAC Name(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
SMILESCSc1nnc(CN)n1C.Cl.Cl
InChIInChI=1S/C5H10N4S.2ClH/c1-9-4(3-6)7-8-5(9)10-2;;/h3,6H2,1-2H3;2*1H
InChIKeyHFKDXNIOFKQBGV-UHFFFAOYSA-N
XLogP0.84
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The IUPAC name of (4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride (CID 75480384) is (4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for (4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The canonical SMILES for (4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride is CSc1nnc(CN)n1C.Cl.Cl.
What is the InChIKey of (4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The InChIKey is HFKDXNIOFKQBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S.2ClH/c1-9-4(3-6)7-8-5(9)10-2;;/h3,6H2,1-2H3;2*1H.
What are the key properties of (4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride has a molecular weight of 231.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 75480384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).