5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine

C18H19N5OS — CID 6404962

IUPAC5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine
SMILESCN1CCC(Oc2nc(-c3cccs3)nnc2-c2ccncc2)CC1
InChIInChI=1S/C18H19N5OS/c1-23-10-6-14(7-11-23)24-18-16(13-4-8-19-9-5-13)21-22-17(20-18)15-3-2-12-25-15/h2-5,8-9,12,14H,6-7,10-11H2,1H3
InChIKeySLCLEYNWYJWEPZ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.14
Rot. Bonds4

About 5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine

5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine (PubChem CID 6404962) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine
PubChem CID6404962
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine
SMILESCN1CCC(Oc2nc(-c3cccs3)nnc2-c2ccncc2)CC1
InChIInChI=1S/C18H19N5OS/c1-23-10-6-14(7-11-23)24-18-16(13-4-8-19-9-5-13)21-22-17(20-18)15-3-2-12-25-15/h2-5,8-9,12,14H,6-7,10-11H2,1H3
InChIKeySLCLEYNWYJWEPZ-UHFFFAOYSA-N
XLogP3.14
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine?
The IUPAC name of 5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine (CID 6404962) is 5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine is CN1CCC(Oc2nc(-c3cccs3)nnc2-c2ccncc2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine?
The InChIKey is SLCLEYNWYJWEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-23-10-6-14(7-11-23)24-18-16(13-4-8-19-9-5-13)21-22-17(20-18)15-3-2-12-25-15/h2-5,8-9,12,14H,6-7,10-11H2,1H3.
What are the key properties of 5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine?
5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine has a molecular weight of 353.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)oxy-6-pyridin-4-yl-3-thiophen-2-yl-1,2,4-triazine is sourced from PubChem (CID 6404962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).