N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide

C19H27N7O3 — CID 134068931

About N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide

N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide (PubChem CID 134068931) has the molecular formula C19H27N7O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide
• PubChem CID: 134068931
• Molecular Formula: C19H27N7O3
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.22
• IUPAC Name: N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide
• SMILES: CN(C)C(=O)N1CCN(C)C(c2nnc3ccc(C(=O)N4CCOCC4)cn23)C1
• InChI: InChI=1S/C19H27N7O3/c1-22(2)19(28)25-7-6-23(3)15(13-25)17-21-20-16-5-4-14(12-26(16)17)18(27)24-8-10-29-11-9-24/h4-5,12,15H,6-11,13H2,1-3H3
• InChIKey: KBWSXDVAQTVJGN-UHFFFAOYSA-N
• XLogP: 0.17
• TPSA: 86.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide?

The IUPAC name of N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide (CID 134068931) is N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide.

What is the SMILES notation for N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide?

The canonical SMILES for N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide is CN(C)C(=O)N1CCN(C)C(c2nnc3ccc(C(=O)N4CCOCC4)cn23)C1.

What is the InChIKey of N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide?

The InChIKey is KBWSXDVAQTVJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O3/c1-22(2)19(28)25-7-6-23(3)15(13-25)17-21-20-16-5-4-14(12-26(16)17)18(27)24-8-10-29-11-9-24/h4-5,12,15H,6-11,13H2,1-3H3.

What are the key properties of N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide?

N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 134068931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).