N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

C18H27N7O2 — CID 28737837

IUPACN-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CN(C)C(=O)Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C18H27N7O2/c1-3-7-24-14-19-21-16(24)12-22(2)18(27)13-25-17(26)10-15(11-20-25)23-8-5-4-6-9-23/h10-11,14H,3-9,12-13H2,1-2H3
InChIKeyYGXXMHZCLRRHKI-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.89
Rot. Bonds7

About N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 28737837) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID28737837
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC NameN-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CN(C)C(=O)Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C18H27N7O2/c1-3-7-24-14-19-21-16(24)12-22(2)18(27)13-25-17(26)10-15(11-20-25)23-8-5-4-6-9-23/h10-11,14H,3-9,12-13H2,1-2H3
InChIKeyYGXXMHZCLRRHKI-UHFFFAOYSA-N
XLogP0.89
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 28737837) is N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is CCCn1cnnc1CN(C)C(=O)Cn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is YGXXMHZCLRRHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-3-7-24-14-19-21-16(24)12-22(2)18(27)13-25-17(26)10-15(11-20-25)23-8-5-4-6-9-23/h10-11,14H,3-9,12-13H2,1-2H3.
What are the key properties of N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 0.89, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 28737837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).