6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine

C13H10ClN5 — CID 11971100

IUPAC6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cc3ccccc3cc2Cl)n1
InChIInChI=1S/C13H10ClN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)
InChIKeyWEOTZQJNSSNRPX-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.51
Rot. Bonds1

About 6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine

6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 11971100) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID11971100
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cc3ccccc3cc2Cl)n1
InChIInChI=1S/C13H10ClN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)
InChIKeyWEOTZQJNSSNRPX-UHFFFAOYSA-N
XLogP2.51
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine (CID 11971100) is 6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2cc3ccccc3cc2Cl)n1.
What is the InChIKey of 6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WEOTZQJNSSNRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19).
What are the key properties of 6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine?
6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 271.71 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11971100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).