2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

C18H23F3N4O2 — CID 118743698

IUPAC2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccc2nc(C3CCN(CC4CC4)CC3)nn2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H22N4.C2HF3O2/c1-12-2-5-15-17-16(18-20(15)10-12)14-6-8-19(9-7-14)11-13-3-4-13;3-2(4,5)1(6)7/h2,5,10,13-14H,3-4,6-9,11H2,1H3;(H,6,7)
InChIKeyLDXIIXZTRXXAEJ-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.26
Rot. Bonds3

About 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118743698) has the molecular formula C18H23F3N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID118743698
Molecular FormulaC18H23F3N4O2
Molecular Weight384.40 g/mol
Exact Mass384.18
IUPAC Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccc2nc(C3CCN(CC4CC4)CC3)nn2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H22N4.C2HF3O2/c1-12-2-5-15-17-16(18-20(15)10-12)14-6-8-19(9-7-14)11-13-3-4-13;3-2(4,5)1(6)7/h2,5,10,13-14H,3-4,6-9,11H2,1H3;(H,6,7)
InChIKeyLDXIIXZTRXXAEJ-UHFFFAOYSA-N
XLogP3.26
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 118743698) is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is Cc1ccc2nc(C3CCN(CC4CC4)CC3)nn2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is LDXIIXZTRXXAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4.C2HF3O2/c1-12-2-5-15-17-16(18-20(15)10-12)14-6-8-19(9-7-14)11-13-3-4-13;3-2(4,5)1(6)7/h2,5,10,13-14H,3-4,6-9,11H2,1H3;(H,6,7).
What are the key properties of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 384.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).