4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C15H25N5 — CID 63868501

IUPAC4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(C2CCCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H25N5/c16-14-17-13(12-8-4-1-2-5-9-12)18-15(19-14)20-10-6-3-7-11-20/h12H,1-11H2,(H2,16,17,18,19)
InChIKeyBZGCFMIJTQDYOW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.88
Rot. Bonds2

About 4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 63868501) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID63868501
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(C2CCCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H25N5/c16-14-17-13(12-8-4-1-2-5-9-12)18-15(19-14)20-10-6-3-7-11-20/h12H,1-11H2,(H2,16,17,18,19)
InChIKeyBZGCFMIJTQDYOW-UHFFFAOYSA-N
XLogP2.88
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 63868501) is 4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(C2CCCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is BZGCFMIJTQDYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c16-14-17-13(12-8-4-1-2-5-9-12)18-15(19-14)20-10-6-3-7-11-20/h12H,1-11H2,(H2,16,17,18,19).
What are the key properties of 4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).