N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine

C12H16Cl2N4 — CID 62870256

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(Cl)nc(Cl)n1)C1CC2CCC1C2
InChIInChI=1S/C12H16Cl2N4/c1-6(9-5-7-2-3-8(9)4-7)15-12-17-10(13)16-11(14)18-12/h6-9H,2-5H2,1H3,(H,15,16,17,18)
InChIKeyJFAHYRKGHHGMEW-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.41
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine (PubChem CID 62870256) has the molecular formula C12H16Cl2N4 and a molecular weight of 287.19 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
PubChem CID62870256
Molecular FormulaC12H16Cl2N4
Molecular Weight287.19 g/mol
Exact Mass286.08
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(Cl)nc(Cl)n1)C1CC2CCC1C2
InChIInChI=1S/C12H16Cl2N4/c1-6(9-5-7-2-3-8(9)4-7)15-12-17-10(13)16-11(14)18-12/h6-9H,2-5H2,1H3,(H,15,16,17,18)
InChIKeyJFAHYRKGHHGMEW-UHFFFAOYSA-N
XLogP3.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine (CID 62870256) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine is CC(Nc1nc(Cl)nc(Cl)n1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine?
The InChIKey is JFAHYRKGHHGMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N4/c1-6(9-5-7-2-3-8(9)4-7)15-12-17-10(13)16-11(14)18-12/h6-9H,2-5H2,1H3,(H,15,16,17,18).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine has a molecular weight of 287.19 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).