N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H15F3N6 — CID 56818701

IUPACN-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(Cc2ccccn2)C2CC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C16H15F3N6/c1-10-8-13(25-15(21-10)22-14(23-25)16(17,18)19)24(12-5-6-12)9-11-4-2-3-7-20-11/h2-4,7-8,12H,5-6,9H2,1H3
InChIKeyJYDXJDJQUFKHPQ-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.02
Rot. Bonds4

About N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56818701) has the molecular formula C16H15F3N6 and a molecular weight of 348.33 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID56818701
Molecular FormulaC16H15F3N6
Molecular Weight348.33 g/mol
Exact Mass348.13
IUPAC NameN-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(Cc2ccccn2)C2CC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C16H15F3N6/c1-10-8-13(25-15(21-10)22-14(23-25)16(17,18)19)24(12-5-6-12)9-11-4-2-3-7-20-11/h2-4,7-8,12H,5-6,9H2,1H3
InChIKeyJYDXJDJQUFKHPQ-UHFFFAOYSA-N
XLogP3.02
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 56818701) is N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(Cc2ccccn2)C2CC2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JYDXJDJQUFKHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6/c1-10-8-13(25-15(21-10)22-14(23-25)16(17,18)19)24(12-5-6-12)9-11-4-2-3-7-20-11/h2-4,7-8,12H,5-6,9H2,1H3.
What are the key properties of N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56818701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).