N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide

C14H14ClF3N4O — CID 7692951

IUPACN-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)C1CCCC1
InChIInChI=1S/C14H14ClF3N4O/c15-9-5-10(14(16,17)18)12-21-20-11(22(12)7-9)6-19-13(23)8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,19,23)
InChIKeyNGHAYEURBNEICK-UHFFFAOYSA-N
MW346.74 g/mol
LogP3.21
Rot. Bonds3

About N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide

N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide (PubChem CID 7692951) has the molecular formula C14H14ClF3N4O and a molecular weight of 346.74 g/mol. Its IUPAC name is N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide
PubChem CID7692951
Molecular FormulaC14H14ClF3N4O
Molecular Weight346.74 g/mol
Exact Mass346.08
IUPAC NameN-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)C1CCCC1
InChIInChI=1S/C14H14ClF3N4O/c15-9-5-10(14(16,17)18)12-21-20-11(22(12)7-9)6-19-13(23)8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,19,23)
InChIKeyNGHAYEURBNEICK-UHFFFAOYSA-N
XLogP3.21
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide (CID 7692951) is N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide is O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)C1CCCC1.
What is the InChIKey of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide?
The InChIKey is NGHAYEURBNEICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O/c15-9-5-10(14(16,17)18)12-21-20-11(22(12)7-9)6-19-13(23)8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,19,23).
What are the key properties of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide?
N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide has a molecular weight of 346.74 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 7692951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).