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

C17H12F3N5 — CID 71594991

IUPAC5-methyl-N-naphthalen-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3ccccc3c2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C17H12F3N5/c1-10-8-14(25-16(21-10)23-15(24-25)17(18,19)20)22-13-7-6-11-4-2-3-5-12(11)9-13/h2-9,22H,1H3
InChIKeyZLKAPPDHSYUHHR-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.35
Rot. Bonds2

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

5-methyl-N-naphthalen-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71594991) has the molecular formula C17H12F3N5 and a molecular weight of 343.31 g/mol. Its IUPAC name is 5-methyl-N-naphthalen-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-naphthalen-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID71594991
Molecular FormulaC17H12F3N5
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name5-methyl-N-naphthalen-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3ccccc3c2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C17H12F3N5/c1-10-8-14(25-16(21-10)23-15(24-25)17(18,19)20)22-13-7-6-11-4-2-3-5-12(11)9-13/h2-9,22H,1H3
InChIKeyZLKAPPDHSYUHHR-UHFFFAOYSA-N
XLogP4.35
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.35
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-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-naphthalen-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 71594991) is 5-methyl-N-naphthalen-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-naphthalen-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-naphthalen-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc3ccccc3c2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-N-naphthalen-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZLKAPPDHSYUHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5/c1-10-8-14(25-16(21-10)23-15(24-25)17(18,19)20)22-13-7-6-11-4-2-3-5-12(11)9-13/h2-9,22H,1H3.
What are the key properties of 5-methyl-N-naphthalen-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-naphthalen-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 343.31 g/mol, XLogP of 4.35, 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-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71594991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).