2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide

C18H21N7O2 — CID 28980037

IUPAC2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cn2ncc(N(C)Cc3ccccc3)cc2=O)nn1
InChIInChI=1S/C18H21N7O2/c1-3-24-12-16(21-22-24)20-17(26)13-25-18(27)9-15(10-19-25)23(2)11-14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3,(H,20,26)
InChIKeyIYDAGNXJLSYIFL-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.13
Rot. Bonds7

About 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide

2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide (PubChem CID 28980037) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide
PubChem CID28980037
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cn2ncc(N(C)Cc3ccccc3)cc2=O)nn1
InChIInChI=1S/C18H21N7O2/c1-3-24-12-16(21-22-24)20-17(26)13-25-18(27)9-15(10-19-25)23(2)11-14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3,(H,20,26)
InChIKeyIYDAGNXJLSYIFL-UHFFFAOYSA-N
XLogP1.13
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide?
The IUPAC name of 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide (CID 28980037) is 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide is CCn1cc(NC(=O)Cn2ncc(N(C)Cc3ccccc3)cc2=O)nn1.
What is the InChIKey of 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide?
The InChIKey is IYDAGNXJLSYIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-3-24-12-16(21-22-24)20-17(26)13-25-18(27)9-15(10-19-25)23(2)11-14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3,(H,20,26).
What are the key properties of 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide?
2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(1-ethyltriazol-4-yl)acetamide is sourced from PubChem (CID 28980037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).