6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C16H19F3N4O — CID 90456352

IUPAC6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESNc1nnc2cc(OCC3(C(F)(F)F)CCCC3)c(C3CC3)cn12
InChIInChI=1S/C16H19F3N4O/c17-16(18,19)15(5-1-2-6-15)9-24-12-7-13-21-22-14(20)23(13)8-11(12)10-3-4-10/h7-8,10H,1-6,9H2,(H2,20,22)
InChIKeyVKEPPSQJNIUCQU-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.69
Rot. Bonds4

About 6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 90456352) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID90456352
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESNc1nnc2cc(OCC3(C(F)(F)F)CCCC3)c(C3CC3)cn12
InChIInChI=1S/C16H19F3N4O/c17-16(18,19)15(5-1-2-6-15)9-24-12-7-13-21-22-14(20)23(13)8-11(12)10-3-4-10/h7-8,10H,1-6,9H2,(H2,20,22)
InChIKeyVKEPPSQJNIUCQU-UHFFFAOYSA-N
XLogP3.69
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of 6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 90456352) is 6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is Nc1nnc2cc(OCC3(C(F)(F)F)CCCC3)c(C3CC3)cn12.
What is the InChIKey of 6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is VKEPPSQJNIUCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c17-16(18,19)15(5-1-2-6-15)9-24-12-7-13-21-22-14(20)23(13)8-11(12)10-3-4-10/h7-8,10H,1-6,9H2,(H2,20,22).
What are the key properties of 6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 340.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 90456352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).