5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine

C10H16N6S — CID 66010955

IUPAC5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1nnc(C)n1C
InChIInChI=1S/C10H16N6S/c1-5-16-9(8(11)6(2)14-16)17-10-13-12-7(3)15(10)4/h5,11H2,1-4H3
InChIKeyBXBXSTYITCDKHC-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.38
Rot. Bonds3

About 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine

5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine (PubChem CID 66010955) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine
PubChem CID66010955
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1nnc(C)n1C
InChIInChI=1S/C10H16N6S/c1-5-16-9(8(11)6(2)14-16)17-10-13-12-7(3)15(10)4/h5,11H2,1-4H3
InChIKeyBXBXSTYITCDKHC-UHFFFAOYSA-N
XLogP1.38
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine?
The IUPAC name of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine (CID 66010955) is 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine.
What is the SMILES notation for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine?
The canonical SMILES for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1Sc1nnc(C)n1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine?
The InChIKey is BXBXSTYITCDKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c1-5-16-9(8(11)6(2)14-16)17-10-13-12-7(3)15(10)4/h5,11H2,1-4H3.
What are the key properties of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine?
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine has a molecular weight of 252.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine is sourced from PubChem (CID 66010955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).