(2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide

C14H15ClF3N5O2 — CID 120784804

IUPAC(2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)O1
InChIInChI=1S/C14H15ClF3N5O2/c15-9-3-7(14(16,17)18)6-23-11(21-22-12(9)23)5-20-13(24)10-2-1-8(4-19)25-10/h3,6,8,10H,1-2,4-5,19H2,(H,20,24)/t8-,10+/m1/s1
InChIKeyMWTDNNBETNNMAJ-SCZZXKLOSA-N
MW377.75 g/mol
LogP1.52
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide (PubChem CID 120784804) has the molecular formula C14H15ClF3N5O2 and a molecular weight of 377.75 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide
PubChem CID120784804
Molecular FormulaC14H15ClF3N5O2
Molecular Weight377.75 g/mol
Exact Mass377.09
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)O1
InChIInChI=1S/C14H15ClF3N5O2/c15-9-3-7(14(16,17)18)6-23-11(21-22-12(9)23)5-20-13(24)10-2-1-8(4-19)25-10/h3,6,8,10H,1-2,4-5,19H2,(H,20,24)/t8-,10+/m1/s1
InChIKeyMWTDNNBETNNMAJ-SCZZXKLOSA-N
XLogP1.52
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120784803
N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide
CID 16575401
2-(4-chlorophenyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 16567590
3-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122005355
2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 55125983
2-(2-chlorophenoxy)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 16571755
N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenoxybenzamide
CID 16567587
ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
CID 79471481
3-(bromomethyl)-8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 75176233
1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-[(2S)-4-phenylbutan-2-yl]urea
CID 51936340
(2S,5R)-5-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 120783138
(2S,5R)-5-(aminomethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)oxolane-2-carboxamide;dihydrochloride
CID 120797151

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide (CID 120784804) is (2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide?
The InChIKey is MWTDNNBETNNMAJ-SCZZXKLOSA-N. The full InChI is InChI=1S/C14H15ClF3N5O2/c15-9-3-7(14(16,17)18)6-23-11(21-22-12(9)23)5-20-13(24)10-2-1-8(4-19)25-10/h3,6,8,10H,1-2,4-5,19H2,(H,20,24)/t8-,10+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide has a molecular weight of 377.75 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120784804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).