1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

C11H17N5OS — CID 65138270

IUPAC1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESCC(C)CSCc1noc(Cn2cc(N)cn2)n1
InChIInChI=1S/C11H17N5OS/c1-8(2)6-18-7-10-14-11(17-15-10)5-16-4-9(12)3-13-16/h3-4,8H,5-7,12H2,1-2H3
InChIKeyZDBRGIYHRZWYAO-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.79
Rot. Bonds6

About 1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 65138270) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID65138270
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESCC(C)CSCc1noc(Cn2cc(N)cn2)n1
InChIInChI=1S/C11H17N5OS/c1-8(2)6-18-7-10-14-11(17-15-10)5-16-4-9(12)3-13-16/h3-4,8H,5-7,12H2,1-2H3
InChIKeyZDBRGIYHRZWYAO-UHFFFAOYSA-N
XLogP1.79
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 65138270) is 1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is CC(C)CSCc1noc(Cn2cc(N)cn2)n1.
What is the InChIKey of 1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is ZDBRGIYHRZWYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-8(2)6-18-7-10-14-11(17-15-10)5-16-4-9(12)3-13-16/h3-4,8H,5-7,12H2,1-2H3.
What are the key properties of 1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 267.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 65138270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).