5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide

C12H15N5O2 — CID 86772347

IUPAC5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCc2nnc(C)n2C1
InChIInChI=1S/C12H15N5O2/c1-7-11(13-6-19-7)12(18)14-9-3-4-10-16-15-8(2)17(10)5-9/h6,9H,3-5H2,1-2H3,(H,14,18)
InChIKeyCZYZPYMDZZOZRR-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.63
Rot. Bonds2

About 5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide

5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide (PubChem CID 86772347) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide
PubChem CID86772347
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCc2nnc(C)n2C1
InChIInChI=1S/C12H15N5O2/c1-7-11(13-6-19-7)12(18)14-9-3-4-10-16-15-8(2)17(10)5-9/h6,9H,3-5H2,1-2H3,(H,14,18)
InChIKeyCZYZPYMDZZOZRR-UHFFFAOYSA-N
XLogP0.63
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide (CID 86772347) is 5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC1CCc2nnc(C)n2C1.
What is the InChIKey of 5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is CZYZPYMDZZOZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-11(13-6-19-7)12(18)14-9-3-4-10-16-15-8(2)17(10)5-9/h6,9H,3-5H2,1-2H3,(H,14,18).
What are the key properties of 5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86772347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).