5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine

C14H20N4S — CID 58147840

IUPAC5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2ccc(CN3CCC(C)CC3)c12
InChIInChI=1S/C14H20N4S/c1-11-3-6-17(7-4-11)9-12-5-8-18-13(12)14(19-2)15-10-16-18/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeyFAEZXICSTIOSAH-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.68
Rot. Bonds3

About 5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine

5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 58147840) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID58147840
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2ccc(CN3CCC(C)CC3)c12
InChIInChI=1S/C14H20N4S/c1-11-3-6-17(7-4-11)9-12-5-8-18-13(12)14(19-2)15-10-16-18/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeyFAEZXICSTIOSAH-UHFFFAOYSA-N
XLogP2.68
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (CID 58147840) is 5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is CSc1ncnn2ccc(CN3CCC(C)CC3)c12.
What is the InChIKey of 5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is FAEZXICSTIOSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-11-3-6-17(7-4-11)9-12-5-8-18-13(12)14(19-2)15-10-16-18/h5,8,10-11H,3-4,6-7,9H2,1-2H3.
What are the key properties of 5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 276.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperidin-1-yl)methyl]-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 58147840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).