acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C13H16F3N7O3 — CID 155938775

IUPACacetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCC(=O)O.O=C(NCc1nc(C(F)(F)F)n[nH]1)C1CCc2ncnn2C1
InChIInChI=1S/C11H12F3N7O.C2H4O2/c12-11(13,14)10-18-7(19-20-10)3-15-9(22)6-1-2-8-16-5-17-21(8)4-6;1-2(3)4/h5-6H,1-4H2,(H,15,22)(H,18,19,20);1H3,(H,3,4)
InChIKeyPRWLJIKRIZESMH-UHFFFAOYSA-N
MW375.31 g/mol
LogP0.38
Rot. Bonds3

About acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 155938775) has the molecular formula C13H16F3N7O3 and a molecular weight of 375.31 g/mol. Its IUPAC name is acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Nameacetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID155938775
Molecular FormulaC13H16F3N7O3
Molecular Weight375.31 g/mol
Exact Mass375.13
IUPAC Nameacetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCC(=O)O.O=C(NCc1nc(C(F)(F)F)n[nH]1)C1CCc2ncnn2C1
InChIInChI=1S/C11H12F3N7O.C2H4O2/c12-11(13,14)10-18-7(19-20-10)3-15-9(22)6-1-2-8-16-5-17-21(8)4-6;1-2(3)4/h5-6H,1-4H2,(H,15,22)(H,18,19,20);1H3,(H,3,4)
InChIKeyPRWLJIKRIZESMH-UHFFFAOYSA-N
XLogP0.38
TPSA138.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide acetate
CID 155499282
4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid
CID 167815706
N-[3-(1H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide formate
CID 155508064
formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155938302
formic acid;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 163334547

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 155938775) is acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CC(=O)O.O=C(NCc1nc(C(F)(F)F)n[nH]1)C1CCc2ncnn2C1.
What is the InChIKey of acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is PRWLJIKRIZESMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N7O.C2H4O2/c12-11(13,14)10-18-7(19-20-10)3-15-9(22)6-1-2-8-16-5-17-21(8)4-6;1-2(3)4/h5-6H,1-4H2,(H,15,22)(H,18,19,20);1H3,(H,3,4).
What are the key properties of acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 375.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 155938775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).