7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C17H14ClF2N5 — CID 3825021

IUPAC7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)C(c1c(F)cccc1Cl)CC(c1ccc(F)cc1)N2
InChIInChI=1S/C17H14ClF2N5/c18-11-2-1-3-12(20)15(11)14-8-13(9-4-6-10(19)7-5-9)22-17-23-16(21)24-25(14)17/h1-7,13-14H,8H2,(H3,21,22,23,24)
InChIKeyAXWXXRPVAUOWKM-UHFFFAOYSA-N
MW361.78 g/mol
LogP3.94
Rot. Bonds2

About 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 3825021) has the molecular formula C17H14ClF2N5 and a molecular weight of 361.78 g/mol. Its IUPAC name is 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID3825021
Molecular FormulaC17H14ClF2N5
Molecular Weight361.78 g/mol
Exact Mass361.09
IUPAC Name7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)C(c1c(F)cccc1Cl)CC(c1ccc(F)cc1)N2
InChIInChI=1S/C17H14ClF2N5/c18-11-2-1-3-12(20)15(11)14-8-13(9-4-6-10(19)7-5-9)22-17-23-16(21)24-25(14)17/h1-7,13-14H,8H2,(H3,21,22,23,24)
InChIKeyAXWXXRPVAUOWKM-UHFFFAOYSA-N
XLogP3.94
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 3825021) is 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2n(n1)C(c1c(F)cccc1Cl)CC(c1ccc(F)cc1)N2.
What is the InChIKey of 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is AXWXXRPVAUOWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N5/c18-11-2-1-3-12(20)15(11)14-8-13(9-4-6-10(19)7-5-9)22-17-23-16(21)24-25(14)17/h1-7,13-14H,8H2,(H3,21,22,23,24).
What are the key properties of 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 361.78 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 3825021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).