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

C9H14N6S — CID 62187925

IUPAC1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine
SMILESCc1nc(SCc2c(C)nn(C)c2N)n[nH]1
InChIInChI=1S/C9H14N6S/c1-5-7(8(10)15(3)14-5)4-16-9-11-6(2)12-13-9/h4,10H2,1-3H3,(H,11,12,13)
InChIKeyOZVKJYYLIIDJGL-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.03
Rot. Bonds3

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

1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine (PubChem CID 62187925) has the molecular formula C9H14N6S and a molecular weight of 238.32 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine
PubChem CID62187925
Molecular FormulaC9H14N6S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC Name1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine
SMILESCc1nc(SCc2c(C)nn(C)c2N)n[nH]1
InChIInChI=1S/C9H14N6S/c1-5-7(8(10)15(3)14-5)4-16-9-11-6(2)12-13-9/h4,10H2,1-3H3,(H,11,12,13)
InChIKeyOZVKJYYLIIDJGL-UHFFFAOYSA-N
XLogP1.03
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine (CID 62187925) is 1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine is Cc1nc(SCc2c(C)nn(C)c2N)n[nH]1.
What is the InChIKey of 1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine?
The InChIKey is OZVKJYYLIIDJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S/c1-5-7(8(10)15(3)14-5)4-16-9-11-6(2)12-13-9/h4,10H2,1-3H3,(H,11,12,13).
What are the key properties of 1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine?
1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine has a molecular weight of 238.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine is sourced from PubChem (CID 62187925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).