4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine

C7H14N4S — CID 55136786

IUPAC4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine
SMILESCC(C)CSc1nnc(N)n1C
InChIInChI=1S/C7H14N4S/c1-5(2)4-12-7-10-9-6(8)11(7)3/h5H,4H2,1-3H3,(H2,8,9)
InChIKeyLWMUTEYVDVIQCP-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.15
Rot. Bonds3

About 4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine

4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine (PubChem CID 55136786) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine
PubChem CID55136786
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine
SMILESCC(C)CSc1nnc(N)n1C
InChIInChI=1S/C7H14N4S/c1-5(2)4-12-7-10-9-6(8)11(7)3/h5H,4H2,1-3H3,(H2,8,9)
InChIKeyLWMUTEYVDVIQCP-UHFFFAOYSA-N
XLogP1.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanoic acid
CID 61468082
2-amino-3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 65442021
4-methyl-5-[2-(3-methylbutoxy)ethylsulfanyl]-1,2,4-triazol-3-amine
CID 61484675
4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine
CID 106725597
4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine
CID 115650969
4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,2,4-triazol-3-amine
CID 64565681
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 47158239
2-[3-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-4-yl]ethanamine
CID 65294155
4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine
CID 61468339
N-[[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]methyl]propanamide
CID 42452678
5-[(4-iodophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 65479243
4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine
CID 61468544

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine (CID 55136786) is 4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine is CC(C)CSc1nnc(N)n1C.
What is the InChIKey of 4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine?
The InChIKey is LWMUTEYVDVIQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-5(2)4-12-7-10-9-6(8)11(7)3/h5H,4H2,1-3H3,(H2,8,9).
What are the key properties of 4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine?
4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine has a molecular weight of 186.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 55136786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).