4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol

C14H17N3OS — CID 103060000

IUPAC4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol
SMILESCCCNc1cnc(CSc2ccc(O)cc2)cn1
InChIInChI=1S/C14H17N3OS/c1-2-7-15-14-9-16-11(8-17-14)10-19-13-5-3-12(18)4-6-13/h3-6,8-9,18H,2,7,10H2,1H3,(H,15,17)
InChIKeyPOFSJYWXRJMLLI-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.30
Rot. Bonds6

About 4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol

4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol (PubChem CID 103060000) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol
PubChem CID103060000
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol
SMILESCCCNc1cnc(CSc2ccc(O)cc2)cn1
InChIInChI=1S/C14H17N3OS/c1-2-7-15-14-9-16-11(8-17-14)10-19-13-5-3-12(18)4-6-13/h3-6,8-9,18H,2,7,10H2,1H3,(H,15,17)
InChIKeyPOFSJYWXRJMLLI-UHFFFAOYSA-N
XLogP3.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol?
The IUPAC name of 4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol (CID 103060000) is 4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol.
What is the SMILES notation for 4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol?
The canonical SMILES for 4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol is CCCNc1cnc(CSc2ccc(O)cc2)cn1.
What is the InChIKey of 4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol?
The InChIKey is POFSJYWXRJMLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-7-15-14-9-16-11(8-17-14)10-19-13-5-3-12(18)4-6-13/h3-6,8-9,18H,2,7,10H2,1H3,(H,15,17).
What are the key properties of 4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol?
4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol has a molecular weight of 275.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(propylamino)pyrazin-2-yl]methylsulfanyl]phenol is sourced from PubChem (CID 103060000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).