2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine

C19H24N8 — CID 178159092

IUPAC2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine
SMILES[H]/N=C(\C)n1nc(-c2cc(C3CC3c3cnn(CC)c3)nn2C)cc(C)/c1=N\[H]
InChIInChI=1S/C19H24N8/c1-5-26-10-13(9-22-26)14-7-15(14)16-8-18(25(4)23-16)17-6-11(2)19(21)27(24-17)12(3)20/h6,8-10,14-15,20-21H,5,7H2,1-4H3/b20-12+,21-19+
InChIKeyNUTDYUJHGJRKIM-IHBSRWQLSA-N
MW364.46 g/mol
LogP2.40
Rot. Bonds4

About 2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine

2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine (PubChem CID 178159092) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine.

Molecular Properties

Compound Name2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine
PubChem CID178159092
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine
SMILES[H]/N=C(\C)n1nc(-c2cc(C3CC3c3cnn(CC)c3)nn2C)cc(C)/c1=N\[H]
InChIInChI=1S/C19H24N8/c1-5-26-10-13(9-22-26)14-7-15(14)16-8-18(25(4)23-16)17-6-11(2)19(21)27(24-17)12(3)20/h6,8-10,14-15,20-21H,5,7H2,1-4H3/b20-12+,21-19+
InChIKeyNUTDYUJHGJRKIM-IHBSRWQLSA-N
XLogP2.40
TPSA101.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine
CID 178159075
6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 178159098
6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 178158842
(Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide
CID 178158762
[2-(1-ethylpyrazol-4-yl)cyclopropyl]methanol
CID 103571107
2-ethanimidoyl-6-[3-[2-[6-(ethylamino)-5-fluoro-3-pyridinyl]cyclopropyl]-1-methylpyrazol-5-yl]pyridazin-2-ium-3-amine
CID 178159061
7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178158314
2-(1-ethylpyrazol-4-yl)cyclohexan-1-ol
CID 62595255
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 103573688
5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole
CID 178158789
4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole
CID 103570829
6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 178159140

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine?
The IUPAC name of 2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine (CID 178159092) is 2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine.
What is the SMILES notation for 2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine?
The canonical SMILES for 2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine is [H]/N=C(\C)n1nc(-c2cc(C3CC3c3cnn(CC)c3)nn2C)cc(C)/c1=N\[H].
What is the InChIKey of 2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine?
The InChIKey is NUTDYUJHGJRKIM-IHBSRWQLSA-N. The full InChI is InChI=1S/C19H24N8/c1-5-26-10-13(9-22-26)14-7-15(14)16-8-18(25(4)23-16)17-6-11(2)19(21)27(24-17)12(3)20/h6,8-10,14-15,20-21H,5,7H2,1-4H3/b20-12+,21-19+.
What are the key properties of 2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine?
2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine has a molecular weight of 364.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine is sourced from PubChem (CID 178159092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).