N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide

C18H20N6O2 — CID 118795480

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
SMILESCCn1ncnc1C(C)NC(=O)c1cccc(-c2ccc(OC)nn2)c1
InChIInChI=1S/C18H20N6O2/c1-4-24-17(19-11-20-24)12(2)21-18(25)14-7-5-6-13(10-14)15-8-9-16(26-3)23-22-15/h5-12H,4H2,1-3H3,(H,21,25)
InChIKeyANJBYCKQOVNFHO-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.25
Rot. Bonds6

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 118795480) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
PubChem CID118795480
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
SMILESCCn1ncnc1C(C)NC(=O)c1cccc(-c2ccc(OC)nn2)c1
InChIInChI=1S/C18H20N6O2/c1-4-24-17(19-11-20-24)12(2)21-18(25)14-7-5-6-13(10-14)15-8-9-16(26-3)23-22-15/h5-12H,4H2,1-3H3,(H,21,25)
InChIKeyANJBYCKQOVNFHO-UHFFFAOYSA-N
XLogP2.25
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
CID 134802663
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanoic acid
CID 22317204
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide
CID 141074265
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide
CID 126438749
3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
CID 118763050
3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 129478499
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
CID 91770168
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 70759937
3-[4-(ethylamino)pyrimidin-2-yl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 126449545
3-(3-aminopropoxy)-4-methoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 125162212
6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 124755292

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide (CID 118795480) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide is CCn1ncnc1C(C)NC(=O)c1cccc(-c2ccc(OC)nn2)c1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is ANJBYCKQOVNFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-4-24-17(19-11-20-24)12(2)21-18(25)14-7-5-6-13(10-14)15-8-9-16(26-3)23-22-15/h5-12H,4H2,1-3H3,(H,21,25).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 352.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 118795480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).