2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine

C13H11N5 — CID 15595236

IUPAC2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C13H11N5/c14-12-15-8-16-13(18-12)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,14,15,16,17,18)
InChIKeyOLZOYINAZDQNBY-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.35
Rot. Bonds2

About 2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine

2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 15595236) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID15595236
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C13H11N5/c14-12-15-8-16-13(18-12)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,14,15,16,17,18)
InChIKeyOLZOYINAZDQNBY-UHFFFAOYSA-N
XLogP2.35
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine (CID 15595236) is 2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine is Nc1ncnc(Nc2ccc3ccccc3c2)n1.
What is the InChIKey of 2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is OLZOYINAZDQNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c14-12-15-8-16-13(18-12)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,14,15,16,17,18).
What are the key properties of 2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine?
2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 237.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15595236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).