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

C16H13N5 — CID 743061

IUPAC5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cccc3ccccc23)n2ncnc2n1
InChIInChI=1S/C16H13N5/c1-11-9-15(21-16(19-11)17-10-18-21)20-14-8-4-6-12-5-2-3-7-13(12)14/h2-10,20H,1H3
InChIKeyFPZGGKKCYQNLAV-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.33
Rot. Bonds2

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

5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 743061) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID743061
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cccc3ccccc23)n2ncnc2n1
InChIInChI=1S/C16H13N5/c1-11-9-15(21-16(19-11)17-10-18-21)20-14-8-4-6-12-5-2-3-7-13(12)14/h2-10,20H,1H3
InChIKeyFPZGGKKCYQNLAV-UHFFFAOYSA-N
XLogP3.33
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 743061) is 5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2cccc3ccccc23)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FPZGGKKCYQNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-11-9-15(21-16(19-11)17-10-18-21)20-14-8-4-6-12-5-2-3-7-13(12)14/h2-10,20H,1H3.
What are the key properties of 5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 275.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 743061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).