4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine

C15H24N4O — CID 63866848

IUPAC4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CC2CCCO2)nc(C2CCCCCC2)n1
InChIInChI=1S/C15H24N4O/c16-15-18-13(10-12-8-5-9-20-12)17-14(19-15)11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H2,16,17,18,19)
InChIKeyPZVGIPRQBLFABI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.61
Rot. Bonds3

About 4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine

4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63866848) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID63866848
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CC2CCCO2)nc(C2CCCCCC2)n1
InChIInChI=1S/C15H24N4O/c16-15-18-13(10-12-8-5-9-20-12)17-14(19-15)11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H2,16,17,18,19)
InChIKeyPZVGIPRQBLFABI-UHFFFAOYSA-N
XLogP2.61
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine (CID 63866848) is 4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine is Nc1nc(CC2CCCO2)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is PZVGIPRQBLFABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-15-18-13(10-12-8-5-9-20-12)17-14(19-15)11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H2,16,17,18,19).
What are the key properties of 4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 276.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63866848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).