6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine

C11H15N5S — CID 80891650

IUPAC6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(Sc2cnn(C)c2)n1
InChIInChI=1S/C11H15N5S/c1-3-4-13-10-6-12-7-11(15-10)17-9-5-14-16(2)8-9/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKeyVFDZPYQLIKWDPB-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.18
Rot. Bonds5

About 6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine

6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine (PubChem CID 80891650) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine
PubChem CID80891650
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(Sc2cnn(C)c2)n1
InChIInChI=1S/C11H15N5S/c1-3-4-13-10-6-12-7-11(15-10)17-9-5-14-16(2)8-9/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKeyVFDZPYQLIKWDPB-UHFFFAOYSA-N
XLogP2.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80963512
2-cyclopropyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80962854
4-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891725
2-chloro-6-(1-methylpyrazol-4-yl)sulfanylpyrazine
CID 61385318
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine
CID 80890961
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine
CID 115384424
N-ethyl-6-(1-methylpyrazol-4-yl)sulfanyl-2-methylsulfanylpyrimidin-4-amine
CID 80892324
3-chloro-5-(1-methylpyrazol-4-yl)sulfanyl-1,2,4-triazine
CID 115000407
3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890920
2-N-(4-methylpiperazin-1-yl)-6-N-propylpyrazine-2,6-diamine
CID 83028182
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine
CID 80890192
N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine
CID 80885114

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine (CID 80891650) is 6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine is CCCNc1cncc(Sc2cnn(C)c2)n1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine?
The InChIKey is VFDZPYQLIKWDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-3-4-13-10-6-12-7-11(15-10)17-9-5-14-16(2)8-9/h5-8H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine?
6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine is sourced from PubChem (CID 80891650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).