2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine

C18H22N8 — CID 178159075

IUPAC2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine
SMILES[H]/N=C(\C)n1nc(-c2cc(C3CC3c3cnn(C)c3)nn2CC)cc/c1=N\[H]
InChIInChI=1S/C18H22N8/c1-4-25-17(15-5-6-18(20)26(23-15)11(2)19)8-16(22-25)14-7-13(14)12-9-21-24(3)10-12/h5-6,8-10,13-14,19-20H,4,7H2,1-3H3/b19-11+,20-18+
InChIKeyAARWHJBTLOXMDH-DSTXHIGZSA-N
MW350.43 g/mol
LogP2.10
Rot. Bonds4

About 2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine

2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine (PubChem CID 178159075) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine.

Molecular Properties

Compound Name2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine
PubChem CID178159075
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine
SMILES[H]/N=C(\C)n1nc(-c2cc(C3CC3c3cnn(C)c3)nn2CC)cc/c1=N\[H]
InChIInChI=1S/C18H22N8/c1-4-25-17(15-5-6-18(20)26(23-15)11(2)19)8-16(22-25)14-7-13(14)12-9-21-24(3)10-12/h5-6,8-10,13-14,19-20H,4,7H2,1-3H3/b19-11+,20-18+
InChIKeyAARWHJBTLOXMDH-DSTXHIGZSA-N
XLogP2.10
TPSA101.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.10
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-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine
CID 178159092
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
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
CID 178159103
CID 178159103
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004042
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004048
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-ethanimidoyl-6-[3-[2-[6-(ethylamino)-5-fluoro-3-pyridinyl]cyclopropyl]-1-methylpyrazol-5-yl]pyridazin-2-ium-3-amine
CID 178159061
2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine
CID 146260881
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 103573688
2-methyl-1-[2-(1-methylpyrazol-4-yl)cyclopropyl]propan-1-one
CID 139468604

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine?
The IUPAC name of 2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine (CID 178159075) is 2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine.
What is the SMILES notation for 2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine?
The canonical SMILES for 2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine is [H]/N=C(\C)n1nc(-c2cc(C3CC3c3cnn(C)c3)nn2CC)cc/c1=N\[H].
What is the InChIKey of 2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine?
The InChIKey is AARWHJBTLOXMDH-DSTXHIGZSA-N. The full InChI is InChI=1S/C18H22N8/c1-4-25-17(15-5-6-18(20)26(23-15)11(2)19)8-16(22-25)14-7-13(14)12-9-21-24(3)10-12/h5-6,8-10,13-14,19-20H,4,7H2,1-3H3/b19-11+,20-18+.
What are the key properties of 2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine?
2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine has a molecular weight of 350.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine is sourced from PubChem (CID 178159075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).