N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H14ClF2N5 — CID 53392705

IUPACN-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(F)(F)c1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1
InChIInChI=1S/C15H14ClF2N5/c1-3-15(17,18)13-21-14-19-9(2)7-12(23(14)22-13)20-11-6-4-5-10(16)8-11/h4-8,20H,3H2,1-2H3
InChIKeyRNZIVYPVHUJBNW-UHFFFAOYSA-N
MW337.76 g/mol
LogP4.33
Rot. Bonds4

About N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53392705) has the molecular formula C15H14ClF2N5 and a molecular weight of 337.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID53392705
Molecular FormulaC15H14ClF2N5
Molecular Weight337.76 g/mol
Exact Mass337.09
IUPAC NameN-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(F)(F)c1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1
InChIInChI=1S/C15H14ClF2N5/c1-3-15(17,18)13-21-14-19-9(2)7-12(23(14)22-13)20-11-6-4-5-10(16)8-11/h4-8,20H,3H2,1-2H3
InChIKeyRNZIVYPVHUJBNW-UHFFFAOYSA-N
XLogP4.33
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 53392705) is N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCC(F)(F)c1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1.
What is the InChIKey of N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RNZIVYPVHUJBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N5/c1-3-15(17,18)13-21-14-19-9(2)7-12(23(14)22-13)20-11-6-4-5-10(16)8-11/h4-8,20H,3H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 337.76 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(1,1-difluoropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53392705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).