2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine

C12H15ClN6O — CID 62862633

IUPAC2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
SMILESCOC1CCN(c2nc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C12H15ClN6O/c1-20-9-3-7-18(8-4-9)11-15-10(13)16-12(17-11)19-6-2-5-14-19/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyCOFAIDWPJOQFAX-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.33
Rot. Bonds3

About 2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine

2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine (PubChem CID 62862633) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
PubChem CID62862633
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
SMILESCOC1CCN(c2nc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C12H15ClN6O/c1-20-9-3-7-18(8-4-9)11-15-10(13)16-12(17-11)19-6-2-5-14-19/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyCOFAIDWPJOQFAX-UHFFFAOYSA-N
XLogP1.33
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine (CID 62862633) is 2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine is COC1CCN(c2nc(Cl)nc(-n3cccn3)n2)CC1.
What is the InChIKey of 2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine?
The InChIKey is COFAIDWPJOQFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-20-9-3-7-18(8-4-9)11-15-10(13)16-12(17-11)19-6-2-5-14-19/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of 2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine?
2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine has a molecular weight of 294.75 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxypiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62862633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).