4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine

C12H10Cl2N4 — CID 60725987

IUPAC4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C12H10Cl2N4/c13-10-16-11(14)18-12(17-10)15-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,15,16,17,18)
InChIKeyMNRUUCRJLLCAGB-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.41
Rot. Bonds2

About 4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine (PubChem CID 60725987) has the molecular formula C12H10Cl2N4 and a molecular weight of 281.15 g/mol. Its IUPAC name is 4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine
PubChem CID60725987
Molecular FormulaC12H10Cl2N4
Molecular Weight281.15 g/mol
Exact Mass280.03
IUPAC Name4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C12H10Cl2N4/c13-10-16-11(14)18-12(17-10)15-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,15,16,17,18)
InChIKeyMNRUUCRJLLCAGB-UHFFFAOYSA-N
XLogP3.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine (CID 60725987) is 4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(Nc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine?
The InChIKey is MNRUUCRJLLCAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4/c13-10-16-11(14)18-12(17-10)15-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,15,16,17,18).
What are the key properties of 4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine has a molecular weight of 281.15 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 60725987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).