2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide

C18H24N6O — CID 138055011

IUPAC2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide
SMILESCCc1nn(C)c(CC)c1CC(=O)NCc1nnc2ccc(C)cn12
InChIInChI=1S/C18H24N6O/c1-5-14-13(15(6-2)23(4)22-14)9-18(25)19-10-17-21-20-16-8-7-12(3)11-24(16)17/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,25)
InChIKeyKHGVGVVAFCUVGG-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.75
Rot. Bonds6

About 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide

2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide (PubChem CID 138055011) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide
PubChem CID138055011
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide
SMILESCCc1nn(C)c(CC)c1CC(=O)NCc1nnc2ccc(C)cn12
InChIInChI=1S/C18H24N6O/c1-5-14-13(15(6-2)23(4)22-14)9-18(25)19-10-17-21-20-16-8-7-12(3)11-24(16)17/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,25)
InChIKeyKHGVGVVAFCUVGG-UHFFFAOYSA-N
XLogP1.75
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide (CID 138055011) is 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide is CCc1nn(C)c(CC)c1CC(=O)NCc1nnc2ccc(C)cn12.
What is the InChIKey of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide?
The InChIKey is KHGVGVVAFCUVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-5-14-13(15(6-2)23(4)22-14)9-18(25)19-10-17-21-20-16-8-7-12(3)11-24(16)17/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,25).
What are the key properties of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide?
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 138055011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).