N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine

C13H19N5S — CID 63807783

IUPACN-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(Sc2cnccn2)c1CNC(C)C
InChIInChI=1S/C13H19N5S/c1-9(2)16-7-11-10(3)17-18(4)13(11)19-12-8-14-5-6-15-12/h5-6,8-9,16H,7H2,1-4H3
InChIKeyXVABYSZVHVWDKI-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.17
Rot. Bonds5

About N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine

N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 63807783) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID63807783
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(Sc2cnccn2)c1CNC(C)C
InChIInChI=1S/C13H19N5S/c1-9(2)16-7-11-10(3)17-18(4)13(11)19-12-8-14-5-6-15-12/h5-6,8-9,16H,7H2,1-4H3
InChIKeyXVABYSZVHVWDKI-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine (CID 63807783) is N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine is Cc1nn(C)c(Sc2cnccn2)c1CNC(C)C.
What is the InChIKey of N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is XVABYSZVHVWDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-9(2)16-7-11-10(3)17-18(4)13(11)19-12-8-14-5-6-15-12/h5-6,8-9,16H,7H2,1-4H3.
What are the key properties of N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 277.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 63807783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).