5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H15N5 — CID 24882112

IUPAC5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(Nc2ccc3ccccc3c2)c1C
InChIInChI=1S/C17H15N5/c1-11-12(2)20-17-18-10-19-22(17)16(11)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-10,21H,1-2H3
InChIKeyQKTRQKWOYXJVQT-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.64
Rot. Bonds2

About 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24882112) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID24882112
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(Nc2ccc3ccccc3c2)c1C
InChIInChI=1S/C17H15N5/c1-11-12(2)20-17-18-10-19-22(17)16(11)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-10,21H,1-2H3
InChIKeyQKTRQKWOYXJVQT-UHFFFAOYSA-N
XLogP3.64
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 24882112) is 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(Nc2ccc3ccccc3c2)c1C.
What is the InChIKey of 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QKTRQKWOYXJVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-11-12(2)20-17-18-10-19-22(17)16(11)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-10,21H,1-2H3.
What are the key properties of 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 289.34 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24882112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).