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

C13H11N5 — CID 23311134

IUPAC6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cccc3ccccc23)c(N)n1
InChIInChI=1S/C13H11N5/c14-12-11(17-18-13(15)16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H4,14,15,16,18)
InChIKeyKMPQEFWBUAGWCI-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.86
Rot. Bonds1

About 6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine

6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine (PubChem CID 23311134) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine
PubChem CID23311134
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cccc3ccccc23)c(N)n1
InChIInChI=1S/C13H11N5/c14-12-11(17-18-13(15)16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H4,14,15,16,18)
InChIKeyKMPQEFWBUAGWCI-UHFFFAOYSA-N
XLogP1.86
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine (CID 23311134) is 6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine is Nc1nnc(-c2cccc3ccccc23)c(N)n1.
What is the InChIKey of 6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is KMPQEFWBUAGWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c14-12-11(17-18-13(15)16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H4,14,15,16,18).
What are the key properties of 6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine?
6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 237.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 23311134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).