4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one

C17H22N8O2 — CID 56721544

IUPAC4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(C(=O)c3ccc4nnnn4c3)CC2)nn(C)c1=O
InChIInChI=1S/C17H22N8O2/c1-3-24-15(19-22(2)17(24)27)10-12-6-8-23(9-7-12)16(26)13-4-5-14-18-20-21-25(14)11-13/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyIFRDAQYIDAABAX-UHFFFAOYSA-N
MW370.42 g/mol
LogP0.13
Rot. Bonds4

About 4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one

4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one (PubChem CID 56721544) has the molecular formula C17H22N8O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
PubChem CID56721544
Molecular FormulaC17H22N8O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
SMILESCCn1c(CC2CCN(C(=O)c3ccc4nnnn4c3)CC2)nn(C)c1=O
InChIInChI=1S/C17H22N8O2/c1-3-24-15(19-22(2)17(24)27)10-12-6-8-23(9-7-12)16(26)13-4-5-14-18-20-21-25(14)11-13/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyIFRDAQYIDAABAX-UHFFFAOYSA-N
XLogP0.13
TPSA103.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one with MolForge

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Related Compounds

4-ethyl-5-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-2-methyl-1,2,4-triazol-3-one
CID 56739249
[4-(cyclopropylmethyl)piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 84586833
(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 75426017
[4-(2-methoxyphenoxy)piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70732957
4-ethyl-2-methyl-5-[[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one
CID 56717110
[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70713709
[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95872332
(2-tert-butylmorpholin-4-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 139005848
(3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549628
(2-ethyl-2-methylmorpholin-4-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 139005716
4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 131918433
4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one
CID 56719016

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one (CID 56721544) is 4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one is CCn1c(CC2CCN(C(=O)c3ccc4nnnn4c3)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
The InChIKey is IFRDAQYIDAABAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2/c1-3-24-15(19-22(2)17(24)27)10-12-6-8-23(9-7-12)16(26)13-4-5-14-18-20-21-25(14)11-13/h4-5,11-12H,3,6-10H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one has a molecular weight of 370.42 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56721544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).