N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H18F3N5 — CID 59017635

IUPACN-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1c(C(F)(F)F)nc2ncnn2c1NC1CCCC1
InChIInChI=1S/C14H18F3N5/c1-2-5-10-11(14(15,16)17)21-13-18-8-19-22(13)12(10)20-9-6-3-4-7-9/h8-9,20H,2-7H2,1H3
InChIKeyRVUYCBFKHBYURC-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.45
Rot. Bonds4

About N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 59017635) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID59017635
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC NameN-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1c(C(F)(F)F)nc2ncnn2c1NC1CCCC1
InChIInChI=1S/C14H18F3N5/c1-2-5-10-11(14(15,16)17)21-13-18-8-19-22(13)12(10)20-9-6-3-4-7-9/h8-9,20H,2-7H2,1H3
InChIKeyRVUYCBFKHBYURC-UHFFFAOYSA-N
XLogP3.45
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 59017635) is N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1c(C(F)(F)F)nc2ncnn2c1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RVUYCBFKHBYURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c1-2-5-10-11(14(15,16)17)21-13-18-8-19-22(13)12(10)20-9-6-3-4-7-9/h8-9,20H,2-7H2,1H3.
What are the key properties of N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 313.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 59017635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).