2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine

C13H18N6 — CID 91777130

IUPAC2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine
SMILESc1cnn(CCC2CCN(c3ncncn3)CC2)c1
InChIInChI=1S/C13H18N6/c1-5-17-19(6-1)9-4-12-2-7-18(8-3-12)13-15-10-14-11-16-13/h1,5-6,10-12H,2-4,7-9H2
InChIKeyUIBIFCWQMLCPQC-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.37
Rot. Bonds4

About 2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine

2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine (PubChem CID 91777130) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine
PubChem CID91777130
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine
SMILESc1cnn(CCC2CCN(c3ncncn3)CC2)c1
InChIInChI=1S/C13H18N6/c1-5-17-19(6-1)9-4-12-2-7-18(8-3-12)13-15-10-14-11-16-13/h1,5-6,10-12H,2-4,7-9H2
InChIKeyUIBIFCWQMLCPQC-UHFFFAOYSA-N
XLogP1.37
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine?
The IUPAC name of 2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine (CID 91777130) is 2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine is c1cnn(CCC2CCN(c3ncncn3)CC2)c1.
What is the InChIKey of 2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine?
The InChIKey is UIBIFCWQMLCPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-5-17-19(6-1)9-4-12-2-7-18(8-3-12)13-15-10-14-11-16-13/h1,5-6,10-12H,2-4,7-9H2.
What are the key properties of 2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine?
2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine has a molecular weight of 258.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 91777130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).