N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H19FN6 — CID 53045692

IUPACN-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(F)cc1Nc1cc(C(C)C)nc2nc(-c3cccnc3)nn12
InChIInChI=1S/C20H19FN6/c1-12(2)16-10-18(23-17-9-15(21)7-6-13(17)3)27-20(24-16)25-19(26-27)14-5-4-8-22-11-14/h4-12,23H,1-3H3
InChIKeyNXARKCSMQIJQMZ-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.50
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53045692) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID53045692
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC NameN-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(F)cc1Nc1cc(C(C)C)nc2nc(-c3cccnc3)nn12
InChIInChI=1S/C20H19FN6/c1-12(2)16-10-18(23-17-9-15(21)7-6-13(17)3)27-20(24-16)25-19(26-27)14-5-4-8-22-11-14/h4-12,23H,1-3H3
InChIKeyNXARKCSMQIJQMZ-UHFFFAOYSA-N
XLogP4.50
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 53045692) is N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(F)cc1Nc1cc(C(C)C)nc2nc(-c3cccnc3)nn12.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NXARKCSMQIJQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c1-12(2)16-10-18(23-17-9-15(21)7-6-13(17)3)27-20(24-16)25-19(26-27)14-5-4-8-22-11-14/h4-12,23H,1-3H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 362.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53045692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).