[5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone

C19H21N5O — CID 142146680

IUPAC[5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone
SMILESCNc1cc(C(=O)N2CCCCC2)cc2nc(-c3ccccc3)nn12
InChIInChI=1S/C19H21N5O/c1-20-16-12-15(19(25)23-10-6-3-7-11-23)13-17-21-18(22-24(16)17)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,20H,3,6-7,10-11H2,1H3
InChIKeyMYFUAVMFYWTGOL-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.06
Rot. Bonds3

About [5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone

[5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone (PubChem CID 142146680) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone
PubChem CID142146680
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone
SMILESCNc1cc(C(=O)N2CCCCC2)cc2nc(-c3ccccc3)nn12
InChIInChI=1S/C19H21N5O/c1-20-16-12-15(19(25)23-10-6-3-7-11-23)13-17-21-18(22-24(16)17)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,20H,3,6-7,10-11H2,1H3
InChIKeyMYFUAVMFYWTGOL-UHFFFAOYSA-N
XLogP3.06
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone (CID 142146680) is [5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone is CNc1cc(C(=O)N2CCCCC2)cc2nc(-c3ccccc3)nn12.
What is the InChIKey of [5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone?
The InChIKey is MYFUAVMFYWTGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-20-16-12-15(19(25)23-10-6-3-7-11-23)13-17-21-18(22-24(16)17)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,20H,3,6-7,10-11H2,1H3.
What are the key properties of [5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone?
[5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 142146680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).