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

C13H14ClF3N4 — CID 64673005

IUPAC1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine
SMILESNC1(Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCCC1
InChIInChI=1S/C13H14ClF3N4/c14-9-5-8(13(15,16)17)7-21-10(19-20-11(9)21)6-12(18)3-1-2-4-12/h5,7H,1-4,6,18H2
InChIKeyNHJNBGMZZLNRPF-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.22
Rot. Bonds2

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

1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine (PubChem CID 64673005) has the molecular formula C13H14ClF3N4 and a molecular weight of 318.73 g/mol. Its IUPAC name is 1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine
PubChem CID64673005
Molecular FormulaC13H14ClF3N4
Molecular Weight318.73 g/mol
Exact Mass318.09
IUPAC Name1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine
SMILESNC1(Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCCC1
InChIInChI=1S/C13H14ClF3N4/c14-9-5-8(13(15,16)17)7-21-10(19-20-11(9)21)6-12(18)3-1-2-4-12/h5,7H,1-4,6,18H2
InChIKeyNHJNBGMZZLNRPF-UHFFFAOYSA-N
XLogP3.22
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine (CID 64673005) is 1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine is NC1(Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCCC1.
What is the InChIKey of 1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine?
The InChIKey is NHJNBGMZZLNRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N4/c14-9-5-8(13(15,16)17)7-21-10(19-20-11(9)21)6-12(18)3-1-2-4-12/h5,7H,1-4,6,18H2.
What are the key properties of 1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine?
1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine has a molecular weight of 318.73 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 64673005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).