3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine

C17H20N8 — CID 143461050

IUPAC3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESC=NN(C)/C=C(\C)c1cnc2c(Nc3ccnn3C(=C)C)nccn12
InChIInChI=1S/C17H20N8/c1-12(2)25-15(6-7-21-25)22-16-17-20-10-14(24(17)9-8-19-16)13(3)11-23(5)18-4/h6-11H,1,4H2,2-3,5H3,(H,19,22)/b13-11+
InChIKeyDUPSBIAQNQZSDC-ACCUITESSA-N
MW336.40 g/mol
LogP3.07
Rot. Bonds6

About 3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine

3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143461050) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID143461050
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESC=NN(C)/C=C(\C)c1cnc2c(Nc3ccnn3C(=C)C)nccn12
InChIInChI=1S/C17H20N8/c1-12(2)25-15(6-7-21-25)22-16-17-20-10-14(24(17)9-8-19-16)13(3)11-23(5)18-4/h6-11H,1,4H2,2-3,5H3,(H,19,22)/b13-11+
InChIKeyDUPSBIAQNQZSDC-ACCUITESSA-N
XLogP3.07
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-1-[methyl(methylamino)amino]prop-1-en-2-yl]-N-(2-methyl-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 143460538
3-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143464743
3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine
CID 143464869
ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine
CID 143461179
(E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine
CID 139382764
5-bromo-N-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-4H-thiazin-6-amine
CID 143465071
ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 143460896
3-N-[3-[(Z)-1-(3-aminophenyl)-1-ethyliminobut-2-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-ethylbenzene-1,3-diamine
CID 143756340
ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine
CID 144514706
N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine
CID 171820762
2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 157025404
tert-butyl 4-[5-[[3-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]piperidine-1-carboxylate
CID 89361766

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine (CID 143461050) is 3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine is C=NN(C)/C=C(\C)c1cnc2c(Nc3ccnn3C(=C)C)nccn12.
What is the InChIKey of 3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is DUPSBIAQNQZSDC-ACCUITESSA-N. The full InChI is InChI=1S/C17H20N8/c1-12(2)25-15(6-7-21-25)22-16-17-20-10-14(24(17)9-8-19-16)13(3)11-23(5)18-4/h6-11H,1,4H2,2-3,5H3,(H,19,22)/b13-11+.
What are the key properties of 3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine?
3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 336.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143461050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).