(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine

C10H13N5S — CID 63756339

IUPAC(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(Sc2cnccn2)c1CN
InChIInChI=1S/C10H13N5S/c1-7-8(5-11)10(15(2)14-7)16-9-6-12-3-4-13-9/h3-4,6H,5,11H2,1-2H3
InChIKeyYPKZPZJESXYGSM-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.13
Rot. Bonds3

About (1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine

(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine (PubChem CID 63756339) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is (1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine
PubChem CID63756339
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(Sc2cnccn2)c1CN
InChIInChI=1S/C10H13N5S/c1-7-8(5-11)10(15(2)14-7)16-9-6-12-3-4-13-9/h3-4,6H,5,11H2,1-2H3
InChIKeyYPKZPZJESXYGSM-UHFFFAOYSA-N
XLogP1.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine?
The IUPAC name of (1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine (CID 63756339) is (1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine?
The canonical SMILES for (1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine is Cc1nn(C)c(Sc2cnccn2)c1CN.
What is the InChIKey of (1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine?
The InChIKey is YPKZPZJESXYGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-7-8(5-11)10(15(2)14-7)16-9-6-12-3-4-13-9/h3-4,6H,5,11H2,1-2H3.
What are the key properties of (1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine?
(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine has a molecular weight of 235.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine is sourced from PubChem (CID 63756339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).