5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H11ClF3N5 — CID 103076836

IUPAC5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCCCC(F)(F)F
InChIInChI=1S/C10H11ClF3N5/c1-6-7(11)18-9-16-5-17-19(9)8(6)15-4-2-3-10(12,13)14/h5,15H,2-4H2,1H3
InChIKeyUIDNEUAZUSETTJ-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.84
Rot. Bonds4

About 5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076836) has the molecular formula C10H11ClF3N5 and a molecular weight of 293.68 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076836
Molecular FormulaC10H11ClF3N5
Molecular Weight293.68 g/mol
Exact Mass293.07
IUPAC Name5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCCCC(F)(F)F
InChIInChI=1S/C10H11ClF3N5/c1-6-7(11)18-9-16-5-17-19(9)8(6)15-4-2-3-10(12,13)14/h5,15H,2-4H2,1H3
InChIKeyUIDNEUAZUSETTJ-UHFFFAOYSA-N
XLogP2.84
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076836) is 5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NCCCC(F)(F)F.
What is the InChIKey of 5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UIDNEUAZUSETTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N5/c1-6-7(11)18-9-16-5-17-19(9)8(6)15-4-2-3-10(12,13)14/h5,15H,2-4H2,1H3.
What are the key properties of 5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 293.68 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).