4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine

C10H14N6S — CID 63096477

IUPAC4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine
SMILESCC(C)n1c(N)nnc1SCc1cnccn1
InChIInChI=1S/C10H14N6S/c1-7(2)16-9(11)14-15-10(16)17-6-8-5-12-3-4-13-8/h3-5,7H,6H2,1-2H3,(H2,11,14)
InChIKeySCVSRAKWOKBXCT-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.52
Rot. Bonds4

About 4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine

4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine (PubChem CID 63096477) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine
PubChem CID63096477
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine
SMILESCC(C)n1c(N)nnc1SCc1cnccn1
InChIInChI=1S/C10H14N6S/c1-7(2)16-9(11)14-15-10(16)17-6-8-5-12-3-4-13-8/h3-5,7H,6H2,1-2H3,(H2,11,14)
InChIKeySCVSRAKWOKBXCT-UHFFFAOYSA-N
XLogP1.52
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine (CID 63096477) is 4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine is CC(C)n1c(N)nnc1SCc1cnccn1.
What is the InChIKey of 4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine?
The InChIKey is SCVSRAKWOKBXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-7(2)16-9(11)14-15-10(16)17-6-8-5-12-3-4-13-8/h3-5,7H,6H2,1-2H3,(H2,11,14).
What are the key properties of 4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine?
4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine has a molecular weight of 250.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 63096477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).