1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine

C8H12N6S — CID 61347836

IUPAC1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine
SMILESCc1nc(Sc2c(N)c(C)nn2C)n[nH]1
InChIInChI=1S/C8H12N6S/c1-4-6(9)7(14(3)13-4)15-8-10-5(2)11-12-8/h9H2,1-3H3,(H,10,11,12)
InChIKeyZITBPPVDDGUHGK-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.89
Rot. Bonds2

About 1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine

1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine (PubChem CID 61347836) has the molecular formula C8H12N6S and a molecular weight of 224.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine
PubChem CID61347836
Molecular FormulaC8H12N6S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC Name1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine
SMILESCc1nc(Sc2c(N)c(C)nn2C)n[nH]1
InChIInChI=1S/C8H12N6S/c1-4-6(9)7(14(3)13-4)15-8-10-5(2)11-12-8/h9H2,1-3H3,(H,10,11,12)
InChIKeyZITBPPVDDGUHGK-UHFFFAOYSA-N
XLogP0.89
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine (CID 61347836) is 1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine is Cc1nc(Sc2c(N)c(C)nn2C)n[nH]1.
What is the InChIKey of 1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine?
The InChIKey is ZITBPPVDDGUHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6S/c1-4-6(9)7(14(3)13-4)15-8-10-5(2)11-12-8/h9H2,1-3H3,(H,10,11,12).
What are the key properties of 1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine?
1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine has a molecular weight of 224.29 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine is sourced from PubChem (CID 61347836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).